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Analogs

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Popular Name: (2S)-2-[2-(4-propoxyphenyl)ethyl]piperidine (2S)-2-[2-(4-propoxyphenyl)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) 4.25 8.78 -41.17 2 2 1 26 248.39 6 ↓

Analogs

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Popular Name: (2R)-2-[2-(4-propoxyphenyl)ethyl]piperidine (2R)-2-[2-(4-propoxyphenyl)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) 4.25 8.78 -40.77 2 2 1 26 248.39 6 ↓

Analogs

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Popular Name: (2S)-2-[2-(3-propoxyphenyl)ethyl]piperidine (2S)-2-[2-(3-propoxyphenyl)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) 4.23 8.78 -40.3 2 2 1 26 248.39 6 ↓

Analogs

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Popular Name: (2R)-2-[2-(3-propoxyphenyl)ethyl]piperidine (2R)-2-[2-(3-propoxyphenyl)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) 4.23 8.78 -38.83 2 2 1 26 248.39 6 ↓

Analogs

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Popular Name: 1-[(2R)-2-[2-(3,4-dimethoxyphenyl)ethyl]-1-piperidyl]-2-methoxy-ethanone 1-[(2R)-2-[2-(3,4-dimethoxypheny…

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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) 2.51 7.92 -14.96 0 5 0 48 321.417 7 ↓

Analogs

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Popular Name: 1-[(2S)-2-[2-(3,4-dimethoxyphenyl)ethyl]-1-piperidyl]-2-methoxy-ethanone 1-[(2S)-2-[2-(3,4-dimethoxypheny…

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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) 2.51 7.91 -14.86 0 5 0 48 321.417 7 ↓

Analogs

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Popular Name: N-carbamoyl-2-[(2S)-2-[2-(3,4-dimethoxyphenyl)ethyl]-1-piperidyl]acetamide N-carbamoyl-2-[(2S)-2-[2-(3,4-di…

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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) 2.09 5.85 -57.81 4 7 1 95 350.439 7 ↓
Hi High (pH 8-9.5) 2.09 4.43 -22.04 3 7 0 94 349.431 7 ↓

Analogs

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Popular Name: N-carbamoyl-2-[(2R)-2-[2-(3,4-dimethoxyphenyl)ethyl]-1-piperidyl]acetamide N-carbamoyl-2-[(2R)-2-[2-(3,4-di…

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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) 2.09 5.88 -57.23 4 7 1 95 350.439 7 ↓
Hi High (pH 8-9.5) 2.09 3.84 -23.26 3 7 0 94 349.431 7 ↓

Analogs

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Popular Name: 2-[(2S)-2-[2-(4-hydroxyphenyl)ethyl]-1-piperidyl]acetic 2-[(2S)-2-[2-(4-hydroxyphenyl)et…

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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 7.4 -34.54 2 4 0 65 263.337 5 ↓
Hi High (pH 8-9.5) 1.41 6 -50.11 1 4 -1 64 262.329 5 ↓

Analogs

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Popular Name: 2-[(2R)-2-[2-(4-hydroxyphenyl)ethyl]-1-piperidyl]acetic 2-[(2R)-2-[2-(4-hydroxyphenyl)et…

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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 7.42 -34.53 2 4 0 65 263.337 5 ↓
Hi High (pH 8-9.5) 1.41 5.41 -49.91 1 4 -1 64 262.329 5 ↓

Analogs

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Popular Name: (1S,2S)-2-phenyl-1-[(2S)-2-piperidyl]propan-1-ol (1S,2S)-2-phenyl-1-[(2S)-2-piper…

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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) 2.95 5.15 -42.18 3 2 1 37 220.336 3 ↓

Analogs

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Popular Name: (1S,2R)-2-phenyl-1-[(2S)-2-piperidyl]propan-1-ol (1S,2R)-2-phenyl-1-[(2S)-2-piper…

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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) 2.95 5.25 -38.76 3 2 1 37 220.336 3 ↓

Analogs

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Popular Name: (1R,2S)-2-phenyl-1-[(2S)-2-piperidyl]propan-1-ol (1R,2S)-2-phenyl-1-[(2S)-2-piper…

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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) 2.95 4.95 -34.53 3 2 1 37 220.336 3 ↓

Analogs

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Popular Name: (1R,2R)-2-phenyl-1-[(2S)-2-piperidyl]propan-1-ol (1R,2R)-2-phenyl-1-[(2S)-2-piper…

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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) 2.95 4.83 -38.2 3 2 1 37 220.336 3 ↓

Analogs

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Popular Name: (1R)-1-[(2S,4R)-4-methyl-2-piperidyl]-2-phenyl-ethanol (1R)-1-[(2S,4R)-4-methyl-2-piper…

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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) 2.39 5.15 -43.84 3 2 1 37 220.336 3 ↓

Analogs

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Popular Name: (1R)-1-[(2S,4S)-4-methyl-2-piperidyl]-2-phenyl-ethanol (1R)-1-[(2S,4S)-4-methyl-2-piper…

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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) 2.39 4.92 -43.27 3 2 1 37 220.336 3 ↓

Analogs

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Popular Name: (1R)-1-[(2R,4R)-4-methyl-2-piperidyl]-2-phenyl-ethanol (1R)-1-[(2R,4R)-4-methyl-2-piper…

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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) 2.39 5.24 -43.56 3 2 1 37 220.336 3 ↓

Analogs

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Popular Name: (1R)-1-[(2R,4S)-4-methyl-2-piperidyl]-2-phenyl-ethanol (1R)-1-[(2R,4S)-4-methyl-2-piper…

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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) 2.39 5.47 -44.23 3 2 1 37 220.336 3 ↓

Analogs

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Popular Name: (2R,4R)-4-methyl-2-phenethyl-piperidine (2R,4R)-4-methyl-2-phenethyl-pip…

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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) 3.56 8.37 -39.45 2 1 1 17 204.337 3 ↓

Analogs

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Popular Name: (2R,4S)-4-methyl-2-phenethyl-piperidine (2R,4S)-4-methyl-2-phenethyl-pip…

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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) 3.56 8.14 -38.98 2 1 1 17 204.337 3 ↓

Analogs

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Popular Name: (2S,4R)-4-methyl-2-phenethyl-piperidine (2S,4R)-4-methyl-2-phenethyl-pip…

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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) 3.56 8.14 -38.99 2 1 1 17 204.337 3 ↓

Analogs

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Popular Name: (2S,4S)-4-methyl-2-phenethyl-piperidine (2S,4S)-4-methyl-2-phenethyl-pip…

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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) 3.56 8.37 -39.45 2 1 1 17 204.337 3 ↓

Analogs

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Popular Name: (2R,4R)-4-ethyl-2-phenethyl-piperidine (2R,4R)-4-ethyl-2-phenethyl-pipe…

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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) 4.24 9.03 -39.94 2 1 1 17 218.364 4 ↓

Analogs

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Popular Name: (2R,4S)-4-ethyl-2-phenethyl-piperidine (2R,4S)-4-ethyl-2-phenethyl-pipe…

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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) 4.24 8.72 -40.77 2 1 1 17 218.364 4 ↓

Analogs

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Popular Name: (2S,4R)-4-ethyl-2-phenethyl-piperidine (2S,4R)-4-ethyl-2-phenethyl-pipe…

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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) 4.24 8.76 -39.75 2 1 1 17 218.364 4 ↓

Analogs

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Popular Name: (2S,4S)-4-ethyl-2-phenethyl-piperidine (2S,4S)-4-ethyl-2-phenethyl-pipe…

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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) 4.24 9.03 -39.93 2 1 1 17 218.364 4 ↓

Analogs

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Popular Name: (1S)-2-phenyl-1-[(2S)-2-piperidyl]ethanol (1S)-2-phenyl-1-[(2S)-2-piperidy…

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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) 2.15 4.88 -43.09 3 2 1 37 206.309 3 ↓

Analogs

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Popular Name: (1R)-2-phenyl-1-[(2S)-2-piperidyl]ethanol (1R)-2-phenyl-1-[(2S)-2-piperidy…

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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) 2.15 4.55 -38.12 3 2 1 37 206.309 3 ↓

Analogs

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Popular Name: (1S)-2-phenyl-1-[(2R)-2-piperidyl]ethanol (1S)-2-phenyl-1-[(2R)-2-piperidy…

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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) 2.15 4.55 -38.13 3 2 1 37 206.309 3 ↓

Analogs

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Popular Name: (1R)-2-phenyl-1-[(2R)-2-piperidyl]ethanol (1R)-2-phenyl-1-[(2R)-2-piperidy…

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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) 2.15 4.86 -43.18 3 2 1 37 206.309 3 ↓

Analogs

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Popular Name: (2R)-1-(4-methoxyphenyl)-2-[(2S)-2-piperidyl]propan-2-ol (2R)-1-(4-methoxyphenyl)-2-[(2S)…

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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 4.35 -40.06 3 3 1 46 250.362 4 ↓

Analogs

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Popular Name: (2S)-1-(4-methoxyphenyl)-2-[(2S)-2-piperidyl]propan-2-ol (2S)-1-(4-methoxyphenyl)-2-[(2S)…

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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 4.47 -46.2 3 3 1 46 250.362 4 ↓

Analogs

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Popular Name: (2R)-1-(4-methoxyphenyl)-2-[(2R)-2-piperidyl]propan-2-ol (2R)-1-(4-methoxyphenyl)-2-[(2R)…

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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 4.44 -46.12 3 3 1 46 250.362 4 ↓

Analogs

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Popular Name: (2S)-1-(4-methoxyphenyl)-2-[(2R)-2-piperidyl]propan-2-ol (2S)-1-(4-methoxyphenyl)-2-[(2R)…

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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 4.4 -40 3 3 1 46 250.362 4 ↓

Analogs

38001157
38001157
38001158
38001158
38004732
38004732
38004733
38004733
38004734
38004734

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Popular Name: (2S)-2-[2-(2,5-difluorophenyl)ethyl]piperidine (2S)-2-[2-(2,5-difluorophenyl)et…

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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) 3.57 7.85 -37.51 2 1 1 17 226.29 3 ↓

Analogs

38001157
38001157
38001158
38001158
38004732
38004732
38004733
38004733
38004734
38004734

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Popular Name: (2R)-2-[2-(2,5-difluorophenyl)ethyl]piperidine (2R)-2-[2-(2,5-difluorophenyl)et…

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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) 3.57 7.85 -40.1 2 1 1 17 226.29 3 ↓

Analogs

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Popular Name: (2S)-2-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperidine (2S)-2-[2-[4-(trifluoromethoxy)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) 4.28 7.55 -42.96 2 2 1 26 274.306 5 ↓

Analogs

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Popular Name: (2R)-2-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperidine (2R)-2-[2-[4-(trifluoromethoxy)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) 4.28 7.55 -42.28 2 2 1 26 274.306 5 ↓

Analogs

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Popular Name: (2S)-2-[2-[2-(trifluoromethoxy)phenyl]ethyl]piperidine (2S)-2-[2-[2-(trifluoromethoxy)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) 4.24 7.61 -36.22 2 2 1 26 274.306 5 ↓

Analogs

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Popular Name: (2R)-2-[2-[2-(trifluoromethoxy)phenyl]ethyl]piperidine (2R)-2-[2-[2-(trifluoromethoxy)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) 4.24 7.6 -40.53 2 2 1 26 274.306 5 ↓

Analogs

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Popular Name: 2-[2-(2,3,4-Trimethoxy-phenyl)-ethyl]-piperidine 2-[2-(2,3,4-Trimethoxy-phenyl)-e…

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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) 3.14 6.95 -42.53 2 4 1 44 280.388 6 ↓

Analogs

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Popular Name: 2-[2-(2,3,4-Trimethoxy-phenyl)-ethyl]-piperidine 2-[2-(2,3,4-Trimethoxy-phenyl)-e…

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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) 3.14 6.94 -45.9 2 4 1 44 280.388 6 ↓

Analogs

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Popular Name: (2S)-2-[2-[4-(difluoromethoxy)-3-ethoxy-phenyl]ethyl]piperidine (2S)-2-[2-[4-(difluoromethoxy)-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) 3.89 8.15 -47.03 2 3 1 35 300.369 7 ↓

Analogs

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Popular Name: (2R)-2-[2-[4-(difluoromethoxy)-3-ethoxy-phenyl]ethyl]piperidine (2R)-2-[2-[4-(difluoromethoxy)-3…

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Activity (Go SEA)

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) 3.89 8.15 -45.96 2 3 1 35 300.369 7 ↓

Analogs

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Popular Name: (2S)-2-[2-[3-(difluoromethoxy)-4-methoxy-phenyl]ethyl]piperidine (2S)-2-[2-[3-(difluoromethoxy)-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) 3.52 7.24 -44.94 2 3 1 35 286.342 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[2-[3-(difluoromethoxy)-4-methoxy-phenyl]ethyl]piperidine (2R)-2-[2-[3-(difluoromethoxy)-4…

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Activity (Go SEA)

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) 3.52 7.24 -42.12 2 3 1 35 286.342 6 ↓

Analogs

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Popular Name: 2-[4-[2-[(2S)-2-piperidyl]ethyl]phenoxy]acetamide 2-[4-[2-[(2S)-2-piperidyl]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) 2.10 5.16 -49.73 4 4 1 69 263.361 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[2-[(2R)-2-piperidyl]ethyl]phenoxy]acetamide 2-[4-[2-[(2R)-2-piperidyl]ethyl]…

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Activity (Go SEA)

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) 2.10 5.16 -51.6 4 4 1 69 263.361 6 ↓

Analogs

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Popular Name: 2-ethoxy-1-[(2R)-2-[2-(3-hydroxyphenyl)ethyl]-1-piperidyl]ethanone 2-ethoxy-1-[(2R)-2-[2-(3-hydroxy…

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Activity (Go SEA)

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) 2.74 6.83 -12.11 1 4 0 50 291.391 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethoxy-1-[(2S)-2-[2-(3-hydroxyphenyl)ethyl]-1-piperidyl]ethanone 2-ethoxy-1-[(2S)-2-[2-(3-hydroxy…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.74 6.82 -12.06 1 4 0 50 291.391 6 ↓

Parameters Provided:

ring.id = 30425
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 30425 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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