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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[(1S)-2-(4-fluorophenyl)-1-methyl-ethyl]-1-methyl-piperidin-4-amine N-[(1S)-2-(4-fluorophenyl)-1-met…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.82 8.9 -103.24 3 2 2 21 252.377 4 ↓
Mid Mid (pH 6-8) 2.82 6.51 -40.48 2 2 1 20 251.369 4 ↓
Mid Mid (pH 6-8) 2.82 7.91 -33.6 2 2 1 16 251.369 4 ↓

Analogs

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Popular Name: N-[(1R)-2-(4-fluorophenyl)-1-methyl-ethyl]-1-methyl-piperidin-4-amine N-[(1R)-2-(4-fluorophenyl)-1-met…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.82 8.87 -103.27 3 2 2 21 252.377 4 ↓
Mid Mid (pH 6-8) 2.82 8.03 -33.61 2 2 1 16 251.369 4 ↓
Mid Mid (pH 6-8) 2.82 6.48 -40.48 2 2 1 20 251.369 4 ↓

Analogs

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Popular Name: N-[(1S)-2-(4-fluorophenyl)-1-methyl-ethyl]-1-isopropyl-piperidin-4-amine N-[(1S)-2-(4-fluorophenyl)-1-met…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.49 10.08 -103.54 3 2 2 21 280.431 5 ↓
Mid Mid (pH 6-8) 3.49 7.88 -40.29 2 2 1 20 279.423 5 ↓
Mid Mid (pH 6-8) 3.49 9.08 -31.14 2 2 1 16 279.423 5 ↓

Analogs

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Popular Name: N-[(1R)-2-(4-fluorophenyl)-1-methyl-ethyl]-1-isopropyl-piperidin-4-amine N-[(1R)-2-(4-fluorophenyl)-1-met…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.49 10.05 -103.55 3 2 2 21 280.431 5 ↓
Mid Mid (pH 6-8) 3.49 7.84 -40.38 2 2 1 20 279.423 5 ↓
Mid Mid (pH 6-8) 3.49 9.21 -31.42 2 2 1 16 279.423 5 ↓

Analogs

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Popular Name: 1-ethyl-N-[(1S)-2-(4-fluorophenyl)-1-methyl-ethyl]piperidin-4-amine 1-ethyl-N-[(1S)-2-(4-fluoropheny…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.19 9.56 -103.64 3 2 2 21 266.404 5 ↓
Mid Mid (pH 6-8) 3.19 8.68 -32.82 2 2 1 16 265.396 5 ↓
Mid Mid (pH 6-8) 3.19 7.32 -40.43 2 2 1 20 265.396 5 ↓

Analogs

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Popular Name: 1-ethyl-N-[(1R)-2-(4-fluorophenyl)-1-methyl-ethyl]piperidin-4-amine 1-ethyl-N-[(1R)-2-(4-fluoropheny…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.19 9.52 -103.61 3 2 2 21 266.404 5 ↓
Mid Mid (pH 6-8) 3.19 7.29 -40.41 2 2 1 20 265.396 5 ↓
Mid Mid (pH 6-8) 3.19 8.55 -32.56 2 2 1 16 265.396 5 ↓

Analogs

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Popular Name: N-[(1S)-2-(4-fluorophenyl)-1-methyl-ethyl]-1-propyl-piperidin-4-amine N-[(1S)-2-(4-fluorophenyl)-1-met…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.69 10.3 -105.31 3 2 2 21 280.431 6 ↓
Mid Mid (pH 6-8) 3.69 8.07 -40.42 2 2 1 20 279.423 6 ↓
Mid Mid (pH 6-8) 3.69 9.43 -33.51 2 2 1 16 279.423 6 ↓

Analogs

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Popular Name: N-[(1R)-2-(4-fluorophenyl)-1-methyl-ethyl]-1-propyl-piperidin-4-amine N-[(1R)-2-(4-fluorophenyl)-1-met…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.69 10.27 -105.4 3 2 2 21 280.431 6 ↓
Mid Mid (pH 6-8) 3.69 9.29 -33.16 2 2 1 16 279.423 6 ↓
Mid Mid (pH 6-8) 3.69 8.04 -40.44 2 2 1 20 279.423 6 ↓

Analogs

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Popular Name: (2R,4S,5R)-N-[(1S)-2-(4-fluorophenyl)-1-methyl-ethyl]-1,2,5-trimethyl-piperidin-4-amine (2R,4S,5R)-N-[(1S)-2-(4-fluoroph…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.62 10.09 -101.49 3 2 2 21 280.431 4 ↓
Mid Mid (pH 6-8) 3.62 9.37 -32.07 2 2 1 16 279.423 4 ↓
Mid Mid (pH 6-8) 3.62 8.14 -40.03 2 2 1 20 279.423 4 ↓

Analogs

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Popular Name: (2S,4S,5R)-N-[(1S)-2-(4-fluorophenyl)-1-methyl-ethyl]-1,2,5-trimethyl-piperidin-4-amine (2S,4S,5R)-N-[(1S)-2-(4-fluoroph…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.62 10.19 -101.08 3 2 2 21 280.431 4 ↓
Mid Mid (pH 6-8) 3.62 9.52 -31.79 2 2 1 16 279.423 4 ↓
Mid Mid (pH 6-8) 3.62 7.9 -37.71 2 2 1 20 279.423 4 ↓

Analogs

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Popular Name: (2R,4R,5R)-N-[(1S)-2-(4-fluorophenyl)-1-methyl-ethyl]-1,2,5-trimethyl-piperidin-4-amine (2R,4R,5R)-N-[(1S)-2-(4-fluoroph…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.62 9.13 -98.55 3 2 2 21 280.431 4 ↓
Mid Mid (pH 6-8) 3.62 8.68 -34.2 2 2 1 16 279.423 4 ↓
Mid Mid (pH 6-8) 3.62 6.83 -39.5 2 2 1 20 279.423 4 ↓

Analogs

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Popular Name: (2S,4R,5R)-N-[(1S)-2-(4-fluorophenyl)-1-methyl-ethyl]-1,2,5-trimethyl-piperidin-4-amine (2S,4R,5R)-N-[(1S)-2-(4-fluoroph…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.62 9.52 -97.69 3 2 2 21 280.431 4 ↓
Mid Mid (pH 6-8) 3.62 8.98 -33.54 2 2 1 16 279.423 4 ↓
Mid Mid (pH 6-8) 3.62 7.22 -39.97 2 2 1 20 279.423 4 ↓

Analogs

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Popular Name: (2S)-N1-methyl-N1-(1-methyl-4-piperidyl)-2-phenyl-propane-1,2-diamine (2S)-N1-methyl-N1-(1-methyl-4-pi…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.20 5.53 -30.8 3 3 1 34 262.421 4 ↓
Hi High (pH 8-9.5) 2.20 5.95 -35.21 3 3 1 34 262.421 4 ↓
Mid Mid (pH 6-8) 2.20 6.18 -89.87 4 3 2 35 263.429 4 ↓

Analogs

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Popular Name: (2R)-N1-methyl-N1-(1-methyl-4-piperidyl)-2-phenyl-propane-1,2-diamine (2R)-N1-methyl-N1-(1-methyl-4-pi…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.20 5.16 -33.09 3 3 1 34 262.421 4 ↓
Hi High (pH 8-9.5) 2.20 6.25 -33.74 3 3 1 34 262.421 4 ↓
Mid Mid (pH 6-8) 2.20 5.75 -89.87 4 3 2 35 263.429 4 ↓

Analogs

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Popular Name: (2R)-N1-(1-ethyl-4-piperidyl)-N1-methyl-2-phenyl-propane-1,2-diamine (2R)-N1-(1-ethyl-4-piperidyl)-N1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.58 6 -33.4 3 3 1 34 276.448 5 ↓
Hi High (pH 8-9.5) 2.58 6.28 -33.29 3 3 1 34 276.448 5 ↓
Mid Mid (pH 6-8) 2.58 6.47 -89.03 4 3 2 35 277.456 5 ↓

Analogs

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Popular Name: (2S)-N1-(1-ethyl-4-piperidyl)-N1-methyl-2-phenyl-propane-1,2-diamine (2S)-N1-(1-ethyl-4-piperidyl)-N1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.58 6.36 -30.52 3 3 1 34 276.448 5 ↓
Hi High (pH 8-9.5) 2.58 6.87 -32.18 3 3 1 34 276.448 5 ↓
Mid Mid (pH 6-8) 2.58 6.39 -84.35 4 3 2 35 277.456 5 ↓

Analogs

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Popular Name: N-[2-(2-aminophenyl)ethyl]-N,1-dimethyl-piperidin-4-amine N-[2-(2-aminophenyl)ethyl]-N,1-d…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.00 5.79 -35.25 3 3 1 34 248.394 4 ↓
Mid Mid (pH 6-8) 2.00 5.7 -37.53 3 3 1 34 248.394 4 ↓
Mid Mid (pH 6-8) 2.00 8.1 -102.18 4 3 2 35 249.402 4 ↓

Analogs

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Popular Name: N-[2-(2-aminophenyl)ethyl]-1-ethyl-N-methyl-piperidin-4-amine N-[2-(2-aminophenyl)ethyl]-1-eth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.38 6.45 -34.14 3 3 1 34 262.421 5 ↓
Mid Mid (pH 6-8) 2.38 8.75 -102.33 4 3 2 35 263.429 5 ↓
Mid Mid (pH 6-8) 2.38 6.5 -37.39 3 3 1 34 262.421 5 ↓

Analogs

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Popular Name: 1-[4-[[(1S)-2-(4-fluorophenyl)-1-methyl-ethyl]amino]-1-piperidyl]ethanone 1-[4-[[(1S)-2-(4-fluorophenyl)-1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.18 7.9 -51.5 2 3 1 37 279.379 4 ↓

Analogs

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Popular Name: 1-[4-[[(1R)-2-(4-fluorophenyl)-1-methyl-ethyl]amino]-1-piperidyl]ethanone 1-[4-[[(1R)-2-(4-fluorophenyl)-1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.18 7.87 -52.66 2 3 1 37 279.379 4 ↓

Analogs

34441253
34441253

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Popular Name: [2-(3,4-Dimethoxy-phenyl)-ethyl]-(1-methyl-piperidin-4-yl)-amine [2-(3,4-Dimethoxy-phenyl)-ethyl]…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.97 7.53 -113.74 3 4 2 40 280.412 6 ↓

Analogs

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Popular Name: N-[(1R)-2-[methyl-(1-methyl-4-piperidyl)amino]-1-phenyl-ethyl]butanamide N-[(1R)-2-[methyl-(1-methyl-4-pi…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.89 8.31 -44.43 2 4 1 37 318.485 7 ↓
Lo Low (pH 4.5-6) 2.89 10.72 -114.23 3 4 2 38 319.493 7 ↓

Analogs

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Popular Name: (1R,2S)-N2-methyl-N2-(1-methyl-4-piperidyl)-1-phenyl-butane-1,2-diamine (1R,2S)-N2-methyl-N2-(1-methyl-4…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.74 5.46 -31.96 3 3 1 34 276.448 5 ↓
Hi High (pH 8-9.5) 0.74 5.45 -32.43 3 3 1 34 276.448 5 ↓
Mid Mid (pH 6-8) 0.74 5.78 -88.26 4 3 2 35 277.456 5 ↓

Analogs

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Popular Name: (1R,2R)-N2-methyl-N2-(1-methyl-4-piperidyl)-1-phenyl-butane-1,2-diamine (1R,2R)-N2-methyl-N2-(1-methyl-4…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.74 5.37 -35.32 3 3 1 34 276.448 5 ↓
Hi High (pH 8-9.5) 0.74 6.16 -35.69 3 3 1 34 276.448 5 ↓
Mid Mid (pH 6-8) 0.74 6.58 -97.43 4 3 2 35 277.456 5 ↓

Analogs

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Popular Name: (1S,2S)-N2-methyl-N2-(1-methyl-4-piperidyl)-1-phenyl-butane-1,2-diamine (1S,2S)-N2-methyl-N2-(1-methyl-4…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.74 6.26 -31.7 3 3 1 34 276.448 5 ↓
Hi High (pH 8-9.5) 0.74 6.76 -34.28 3 3 1 34 276.448 5 ↓
Mid Mid (pH 6-8) 0.74 6.91 -104.78 4 3 2 35 277.456 5 ↓

Analogs

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Popular Name: (1S,2R)-N2-methyl-N2-(1-methyl-4-piperidyl)-1-phenyl-butane-1,2-diamine (1S,2R)-N2-methyl-N2-(1-methyl-4…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.74 5.09 -29.74 3 3 1 34 276.448 5 ↓
Hi High (pH 8-9.5) 0.74 5.83 -35.7 3 3 1 34 276.448 5 ↓
Mid Mid (pH 6-8) 0.74 6.1 -97.36 4 3 2 35 277.456 5 ↓

Analogs

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Popular Name: ethyl 2-({3-nitro-4-methylbenzoyl}amino)-4,5-dimethyl-3-thiophenecarboxylate ethyl 2-({3-nitro-4-methylbenzoy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.74 10.36 -102.06 3 3 2 30 306.494 7 ↓
Mid Mid (pH 6-8) 3.74 9.18 -31.6 2 3 1 26 305.486 7 ↓
Mid Mid (pH 6-8) 3.74 8.15 -38.23 2 3 1 29 305.486 7 ↓

Analogs

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Popular Name: N-[2-(4-fluorophenyl)ethyl]-1-prop-2-ynyl-piperidin-4-amine N-[2-(4-fluorophenyl)ethyl]-1-pr…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.65 7.27 -48.25 2 2 1 20 261.364 5 ↓

Analogs

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Popular Name: N-[2-(4-fluorophenyl)ethyl]-1-(3-methylbut-2-enyl)piperidin-4-amine N-[2-(4-fluorophenyl)ethyl]-1-(3…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.16 9.81 -35.46 2 2 1 16 291.434 6 ↓
Mid Mid (pH 6-8) 4.16 8.73 -46.55 2 2 1 20 291.434 6 ↓
Lo Low (pH 4.5-6) 4.16 10.98 -114.39 3 2 2 21 292.442 6 ↓

Analogs

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Popular Name: 4-[2-(4-fluorophenyl)ethylamino]piperidine-1-carboxamide 4-[2-(4-fluorophenyl)ethylamino]…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.76 4.75 -58.37 4 4 1 63 266.34 4 ↓

Analogs

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Popular Name: N-[2-(4-fluorophenyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine N-[2-(4-fluorophenyl)ethyl]-1-(2…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.41 7.29 -49.83 2 2 1 20 305.339 6 ↓

Analogs

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Popular Name: N-[2-(4-methoxyphenyl)ethyl]-1-prop-2-ynyl-piperidin-4-amine N-[2-(4-methoxyphenyl)ethyl]-1-p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.54 6.5 -46.09 2 3 1 29 273.4 6 ↓

Analogs

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Popular Name: 4-[2-(4-methoxyphenyl)ethylamino]piperidine-1-carboxamide 4-[2-(4-methoxyphenyl)ethylamino…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.65 3.98 -56.07 4 5 1 72 278.376 5 ↓

Analogs

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Popular Name: N-[2-(2-fluorophenyl)ethyl]-1-prop-2-ynyl-piperidin-4-amine N-[2-(2-fluorophenyl)ethyl]-1-pr…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.60 7.23 -41.94 2 2 1 20 261.364 5 ↓

Analogs

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Popular Name: N-[2-(2-fluorophenyl)ethyl]-1-(3-methylbut-2-enyl)piperidin-4-amine N-[2-(2-fluorophenyl)ethyl]-1-(3…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.11 9.78 -33.25 2 2 1 16 291.434 6 ↓
Mid Mid (pH 6-8) 4.11 8.7 -40.32 2 2 1 20 291.434 6 ↓
Lo Low (pH 4.5-6) 4.11 10.96 -105.74 3 2 2 21 292.442 6 ↓

Analogs

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Popular Name: 4-[2-(2-fluorophenyl)ethylamino]piperidine-1-carboxamide 4-[2-(2-fluorophenyl)ethylamino]…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.71 4.71 -52.53 4 4 1 63 266.34 4 ↓

Analogs

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Popular Name: N-[2-(2-fluorophenyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine N-[2-(2-fluorophenyl)ethyl]-1-(2…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.36 7.26 -44.01 2 2 1 20 305.339 6 ↓

Analogs

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Popular Name: N-[2-(2,4-dichlorophenyl)ethyl]-1-prop-2-ynyl-piperidin-4-amine N-[2-(2,4-dichlorophenyl)ethyl]-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.77 8.13 -44.93 2 2 1 20 312.264 5 ↓

Analogs

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Popular Name: 4-[2-(2,4-dichlorophenyl)ethylamino]piperidine-1-carboxamide 4-[2-(2,4-dichlorophenyl)ethylam…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.88 5.55 -53.83 4 4 1 63 317.24 4 ↓

Analogs

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Popular Name: N,N-dimethyl-2-[4-(phenethylamino)-1-piperidyl]acetamide N,N-dimethyl-2-[4-(phenethylamin…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.23 6.39 -45.69 2 4 1 40 290.431 6 ↓
Mid Mid (pH 6-8) 1.23 7.38 -39.11 2 4 1 37 290.431 6 ↓

Analogs

37777151
37777151
37777152
37777152

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Popular Name: N-phenethyl-1-prop-2-ynyl-piperidin-4-amine N-phenethyl-1-prop-2-ynyl-piperi…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.48 7.2 -43.15 2 2 1 20 243.374 5 ↓

Analogs

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Popular Name: 1-(3-methylbut-2-enyl)-N-phenethyl-piperidin-4-amine 1-(3-methylbut-2-enyl)-N-pheneth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.00 9.73 -33.47 2 2 1 16 273.444 6 ↓
Mid Mid (pH 6-8) 4.00 8.66 -41.43 2 2 1 20 273.444 6 ↓
Lo Low (pH 4.5-6) 4.00 10.94 -108.48 3 2 2 21 274.452 6 ↓

Analogs

37777157
37777157
37777158
37777158

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Popular Name: 4-(phenethylamino)piperidine-1-carboxamide 4-(phenethylamino)piperidine-1-c…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.60 4.68 -53.21 4 4 1 63 248.35 4 ↓

Analogs

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Popular Name: N-phenethyl-1-(2,2,2-trifluoroethyl)piperidin-4-amine N-phenethyl-1-(2,2,2-trifluoroet…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.25 7.23 -44.8 2 2 1 20 287.349 6 ↓

Analogs

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Popular Name: (1R)-N,N-dimethyl-1-phenyl-N'-(1-prop-2-ynyl-4-piperidyl)ethane-1,2-diamine (1R)-N,N-dimethyl-1-phenyl-N'-(1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.29 6.46 -40.73 2 3 1 23 286.443 6 ↓
Mid Mid (pH 6-8) 2.29 8.25 -117.59 3 3 2 24 287.451 6 ↓

Analogs

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Popular Name: (1S)-N,N-dimethyl-1-phenyl-N'-(1-prop-2-ynyl-4-piperidyl)ethane-1,2-diamine (1S)-N,N-dimethyl-1-phenyl-N'-(1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.29 5.99 -39.92 2 3 1 23 286.443 6 ↓
Mid Mid (pH 6-8) 2.29 8.25 -118.83 3 3 2 24 287.451 6 ↓

Analogs

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Popular Name: 4-[[(2R)-2-(dimethylamino)-2-phenyl-ethyl]amino]piperidine-1-carboxamide 4-[[(2R)-2-(dimethylamino)-2-phe…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.41 3.94 -51.5 4 5 1 66 291.419 5 ↓
Mid Mid (pH 6-8) 1.41 5.71 -126.7 5 5 2 67 292.427 5 ↓

Analogs

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Popular Name: 4-[[(2S)-2-(dimethylamino)-2-phenyl-ethyl]amino]piperidine-1-carboxamide 4-[[(2S)-2-(dimethylamino)-2-phe…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.41 3.45 -50.26 4 5 1 66 291.419 5 ↓
Mid Mid (pH 6-8) 1.41 5.74 -129.91 5 5 2 67 292.427 5 ↓

Analogs

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Popular Name: N-[2-(4-chlorophenyl)ethyl]-1-prop-2-ynyl-piperidin-4-amine N-[2-(4-chlorophenyl)ethyl]-1-pr…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.16 7.72 -47.05 2 2 1 20 277.819 5 ↓

Analogs

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Popular Name: N-[2-(4-chlorophenyl)ethyl]-1-(3-methylbut-2-enyl)piperidin-4-amine N-[2-(4-chlorophenyl)ethyl]-1-(3…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.68 10.26 -34.7 2 2 1 16 307.889 6 ↓
Mid Mid (pH 6-8) 4.68 9.19 -45.36 2 2 1 20 307.889 6 ↓
Lo Low (pH 4.5-6) 4.68 11.43 -112.99 3 2 2 21 308.897 6 ↓

Parameters Provided:

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Structural Results Found: (before additional filtering)

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