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Analogs

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Popular Name: (1S)-1-(1-tetrahydropyran-4-yl-4-piperidyl)ethanamine (1S)-1-(1-tetrahydropyran-4-yl-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) 0.70 3.87 -100.88 4 3 2 41 214.353 2 ↓
Hi High (pH 8-9.5) 0.70 1.66 -42.96 3 3 1 40 213.345 2 ↓

Analogs

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Popular Name: (1R)-1-(1-tetrahydropyran-4-yl-4-piperidyl)ethanamine (1R)-1-(1-tetrahydropyran-4-yl-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) 0.70 3.97 -103.9 4 3 2 41 214.353 2 ↓
Hi High (pH 8-9.5) 0.70 1.78 -41.6 3 3 1 40 213.345 2 ↓

Analogs

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Popular Name: (1S)-1-[(3R)-1-tetrahydropyran-4-yl-3-piperidyl]ethanamine (1S)-1-[(3R)-1-tetrahydropyran-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) 0.70 3.81 -109.4 4 3 2 41 214.353 2 ↓
Mid Mid (pH 6-8) 0.70 1.46 -43.81 3 3 1 40 213.345 2 ↓

Analogs

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Popular Name: (1R)-1-[(3R)-1-tetrahydropyran-4-yl-3-piperidyl]ethanamine (1R)-1-[(3R)-1-tetrahydropyran-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) 0.70 3.94 -108.94 4 3 2 41 214.353 2 ↓
Mid Mid (pH 6-8) 0.70 1.74 -43.43 3 3 1 40 213.345 2 ↓

Analogs

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Popular Name: (1S)-1-[(3S)-1-tetrahydropyran-4-yl-3-piperidyl]ethanamine (1S)-1-[(3S)-1-tetrahydropyran-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) 0.70 3.93 -108.55 4 3 2 41 214.353 2 ↓
Mid Mid (pH 6-8) 0.70 1.56 -43.34 3 3 1 40 213.345 2 ↓

Analogs

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Popular Name: (1R)-1-[(3S)-1-tetrahydropyran-4-yl-3-piperidyl]ethanamine (1R)-1-[(3S)-1-tetrahydropyran-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) 0.70 3.81 -109.42 4 3 2 41 214.353 2 ↓
Mid Mid (pH 6-8) 0.70 1.44 -43.78 3 3 1 40 213.345 2 ↓

Analogs

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Popular Name: (1S)-N-methyl-1-[(3R)-1-tetrahydropyran-4-yl-3-piperidyl]ethanamine (1S)-N-methyl-1-[(3R)-1-tetrahyd…

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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 5.45 -97.95 3 3 2 30 228.38 3 ↓
Mid Mid (pH 6-8) 1.60 3.27 -38.31 2 3 1 29 227.372 3 ↓

Analogs

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Popular Name: (1R)-N-methyl-1-[(3R)-1-tetrahydropyran-4-yl-3-piperidyl]ethanamine (1R)-N-methyl-1-[(3R)-1-tetrahyd…

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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 5.54 -97.34 3 3 2 30 228.38 3 ↓
Mid Mid (pH 6-8) 1.60 3.35 -38.02 2 3 1 29 227.372 3 ↓

Analogs

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Popular Name: (1S)-N-methyl-1-[(3S)-1-tetrahydropyran-4-yl-3-piperidyl]ethanamine (1S)-N-methyl-1-[(3S)-1-tetrahyd…

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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 5.53 -97.35 3 3 2 30 228.38 3 ↓
Mid Mid (pH 6-8) 1.60 3.16 -38.03 2 3 1 29 227.372 3 ↓

Analogs

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Popular Name: (1R)-N-methyl-1-[(3S)-1-tetrahydropyran-4-yl-3-piperidyl]ethanamine (1R)-N-methyl-1-[(3S)-1-tetrahyd…

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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 5.41 -98.1 3 3 2 30 228.38 3 ↓
Mid Mid (pH 6-8) 1.60 3.05 -38.41 2 3 1 29 227.372 3 ↓

Analogs

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Popular Name: (1S)-N-methyl-1-(1-tetrahydropyran-4-yl-4-piperidyl)ethanamine (1S)-N-methyl-1-(1-tetrahydropyr…

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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 5.51 -96.48 3 3 2 30 228.38 3 ↓
Hi High (pH 8-9.5) 1.60 3.3 -38.4 2 3 1 29 227.372 3 ↓

Analogs

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Popular Name: (1R)-N-methyl-1-(1-tetrahydropyran-4-yl-4-piperidyl)ethanamine (1R)-N-methyl-1-(1-tetrahydropyr…

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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 5.58 -96.56 3 3 2 30 228.38 3 ↓
Hi High (pH 8-9.5) 1.60 3.38 -38 2 3 1 29 227.372 3 ↓

Analogs

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Popular Name: (1S)-N-methyl-1-[(2S)-1-tetrahydropyran-4-yl-2-piperidyl]ethanamine (1S)-N-methyl-1-[(2S)-1-tetrahyd…

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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) 1.73 5.37 -105.83 3 3 2 30 228.38 3 ↓
Mid Mid (pH 6-8) 1.73 4.22 -30.73 2 3 1 26 227.372 3 ↓
Mid Mid (pH 6-8) 1.73 3.6 -39.69 2 3 1 29 227.372 3 ↓

Analogs

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Popular Name: (1R)-N-methyl-1-[(2S)-1-tetrahydropyran-4-yl-2-piperidyl]ethanamine (1R)-N-methyl-1-[(2S)-1-tetrahyd…

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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) 1.73 5.51 -109.64 3 3 2 30 228.38 3 ↓
Mid Mid (pH 6-8) 1.73 3.72 -36.81 2 3 1 29 227.372 3 ↓
Mid Mid (pH 6-8) 1.73 4.36 -27.84 2 3 1 26 227.372 3 ↓

Analogs

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Popular Name: (1S)-N-methyl-1-[(2R)-1-tetrahydropyran-4-yl-2-piperidyl]ethanamine (1S)-N-methyl-1-[(2R)-1-tetrahyd…

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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) 1.73 5.51 -109.65 3 3 2 30 228.38 3 ↓
Mid Mid (pH 6-8) 1.73 3.71 -36.82 2 3 1 29 227.372 3 ↓
Mid Mid (pH 6-8) 1.73 4.38 -30.84 2 3 1 26 227.372 3 ↓

Analogs

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Popular Name: (1R)-N-methyl-1-[(2R)-1-tetrahydropyran-4-yl-2-piperidyl]ethanamine (1R)-N-methyl-1-[(2R)-1-tetrahyd…

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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) 1.73 5.33 -105.74 3 3 2 30 228.38 3 ↓
Mid Mid (pH 6-8) 1.73 4.19 -29.97 2 3 1 26 227.372 3 ↓
Mid Mid (pH 6-8) 1.73 3.64 -39.81 2 3 1 29 227.372 3 ↓

Analogs

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Popular Name: 1-[(3R)-1-tetrahydropyran-4-yl-3-piperidyl]ethanone 1-[(3R)-1-tetrahydropyran-4-yl-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) 1.03 5.77 -37.17 1 3 1 31 212.313 2 ↓
Hi High (pH 8-9.5) 1.03 3.58 -6.09 0 3 0 30 211.305 2 ↓

Analogs

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Popular Name: 1-[(3S)-1-tetrahydropyran-4-yl-3-piperidyl]ethanone 1-[(3S)-1-tetrahydropyran-4-yl-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) 1.03 5.76 -37.31 1 3 1 31 212.313 2 ↓
Hi High (pH 8-9.5) 1.03 3.57 -6.06 0 3 0 30 211.305 2 ↓

Analogs

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Popular Name: 1-(1-tetrahydropyran-4-yl-4-piperidyl)ethanone 1-(1-tetrahydropyran-4-yl-4-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) 1.03 5.81 -40.74 1 3 1 31 212.313 2 ↓
Hi High (pH 8-9.5) 1.03 3.61 -7.07 0 3 0 30 211.305 2 ↓

Analogs

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Popular Name: 1-[(2S)-1-tetrahydropyran-4-yl-2-piperidyl]ethanone 1-[(2S)-1-tetrahydropyran-4-yl-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) 1.16 5.6 -32.28 1 3 1 31 212.313 2 ↓
Mid Mid (pH 6-8) 1.16 3.53 -6.06 0 3 0 30 211.305 2 ↓

Analogs

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Popular Name: 1-[(2R)-1-tetrahydropyran-4-yl-2-piperidyl]ethanone 1-[(2R)-1-tetrahydropyran-4-yl-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) 1.16 5.6 -32.3 1 3 1 31 212.313 2 ↓
Mid Mid (pH 6-8) 1.16 3.58 -6.22 0 3 0 30 211.305 2 ↓

Analogs

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Popular Name: (2S)-1-tetrahydropyran-4-ylpiperidine-2-carboxylic (2S)-1-tetrahydropyran-4-ylpiper…

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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) -0.60 5.61 -31.75 1 4 0 54 213.277 2 ↓
Hi High (pH 8-9.5) -0.60 3.63 -47.34 0 4 -1 53 212.269 2 ↓

Analogs

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Popular Name: (2R)-1-tetrahydropyran-4-ylpiperidine-2-carboxylic (2R)-1-tetrahydropyran-4-ylpiper…

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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) -0.60 5.61 -31.92 1 4 0 54 213.277 2 ↓
Hi High (pH 8-9.5) -0.60 3.63 -47.35 0 4 -1 53 212.269 2 ↓

Analogs

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Popular Name: 2-[(2S)-1-tetrahydropyran-4-yl-2-piperidyl]acetic 2-[(2S)-1-tetrahydropyran-4-yl-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) 1.13 6.07 -44.86 1 4 0 54 227.304 3 ↓

Analogs

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Popular Name: 2-[(2R)-1-tetrahydropyran-4-yl-2-piperidyl]acetic 2-[(2R)-1-tetrahydropyran-4-yl-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) 1.13 6.09 -44.88 1 4 0 54 227.304 3 ↓

Analogs

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Popular Name: 2-[(3R)-1-tetrahydropyran-4-yl-3-piperidyl]acetic 2-[(3R)-1-tetrahydropyran-4-yl-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) 1.01 6.47 -55.93 1 4 0 54 227.304 3 ↓

Analogs

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Popular Name: 2-[(3S)-1-tetrahydropyran-4-yl-3-piperidyl]acetic 2-[(3S)-1-tetrahydropyran-4-yl-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) 1.01 6.47 -55.91 1 4 0 54 227.304 3 ↓

Analogs

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Popular Name: 4-methyl-1-tetrahydropyran-4-yl-piperidine-4-carboxylic 4-methyl-1-tetrahydropyran-4-yl-…

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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) 0.98 6.12 -56.7 1 4 0 54 227.304 2 ↓

Analogs

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Popular Name: (3S)-3-methyl-1-tetrahydropyran-4-yl-piperidine-3-carboxylic (3S)-3-methyl-1-tetrahydropyran-…

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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) 0.98 6.32 -48.81 1 4 0 54 227.304 2 ↓
Hi High (pH 8-9.5) 0.98 4.29 -46.48 0 4 -1 53 226.296 2 ↓

Analogs

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Popular Name: (3R)-3-methyl-1-tetrahydropyran-4-yl-piperidine-3-carboxylic (3R)-3-methyl-1-tetrahydropyran-…

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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) 0.98 6.28 -48.42 1 4 0 54 227.304 2 ↓
Hi High (pH 8-9.5) 0.98 4.29 -46.26 0 4 -1 53 226.296 2 ↓

Analogs

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Popular Name: (3S)-1-tetrahydropyran-4-ylpiperidin-3-ol (3S)-1-tetrahydropyran-4-ylpiper…

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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) 0.47 1.95 -33.63 2 3 1 34 186.275 1 ↓

Analogs

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Popular Name: (3R)-1-tetrahydropyran-4-ylpiperidin-3-ol (3R)-1-tetrahydropyran-4-ylpiper…

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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) 0.47 1.95 -33.66 2 3 1 34 186.275 1 ↓

Analogs

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Popular Name: 1-tetrahydropyran-4-ylpiperidin-4-ol 1-tetrahydropyran-4-ylpiperidin-…

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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) -0.26 1.96 -35.85 2 3 1 34 186.275 1 ↓
Hi High (pH 8-9.5) -0.26 -0.22 -4.06 1 3 0 33 185.267 1 ↓

Analogs

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Popular Name: [(2S)-1-tetrahydropyran-4-yl-2-piperidyl]methanol [(2S)-1-tetrahydropyran-4-yl-2-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) 0.98 2.36 -29.83 2 3 1 34 200.302 2 ↓

Analogs

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Popular Name: [(2R)-1-tetrahydropyran-4-yl-2-piperidyl]methanol [(2R)-1-tetrahydropyran-4-yl-2-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) 0.98 2.37 -29.81 2 3 1 34 200.302 2 ↓

Analogs

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Popular Name: [(3S)-1-tetrahydropyran-4-yl-3-piperidyl]methanol [(3S)-1-tetrahydropyran-4-yl-3-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) 0.86 2.59 -35.51 2 3 1 34 200.302 2 ↓
Hi High (pH 8-9.5) 0.86 0.41 -4.14 1 3 0 33 199.294 2 ↓

Analogs

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Popular Name: [(3R)-1-tetrahydropyran-4-yl-3-piperidyl]methanol [(3R)-1-tetrahydropyran-4-yl-3-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) 0.86 2.59 -35.54 2 3 1 34 200.302 2 ↓
Hi High (pH 8-9.5) 0.86 0.41 -4.15 1 3 0 33 199.294 2 ↓

Analogs

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Popular Name: 2-[(2S)-1-tetrahydropyran-4-yl-2-piperidyl]ethanol 2-[(2S)-1-tetrahydropyran-4-yl-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) 1.25 2.82 -32.58 2 3 1 34 214.329 3 ↓

Analogs

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Popular Name: 2-[(2R)-1-tetrahydropyran-4-yl-2-piperidyl]ethanol 2-[(2R)-1-tetrahydropyran-4-yl-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) 1.25 2.79 -32.64 2 3 1 34 214.329 3 ↓

Analogs

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Popular Name: 2-[(3R)-1-tetrahydropyran-4-yl-3-piperidyl]ethanol 2-[(3R)-1-tetrahydropyran-4-yl-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) 1.13 3.21 -35.63 2 3 1 34 214.329 3 ↓

Analogs

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Popular Name: 2-[(3S)-1-tetrahydropyran-4-yl-3-piperidyl]ethanol 2-[(3S)-1-tetrahydropyran-4-yl-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) 1.13 3.2 -35.64 2 3 1 34 214.329 3 ↓

Analogs

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Popular Name: (3S)-1-tetrahydropyran-4-ylpiperidine-3-carbaldehyde (3S)-1-tetrahydropyran-4-ylpiper…

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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) 1.31 4.95 -41.1 1 3 1 31 198.286 2 ↓
Hi High (pH 8-9.5) 1.31 2.57 -5.89 0 3 0 30 197.278 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-tetrahydropyran-4-ylpiperidine-3-carbaldehyde (3R)-1-tetrahydropyran-4-ylpiper…

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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) 1.31 4.95 -41.1 1 3 1 31 198.286 2 ↓
Hi High (pH 8-9.5) 1.31 2.59 -5.94 0 3 0 30 197.278 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-tetrahydropyran-4-ylpiperidine-2-carbaldehyde (2S)-1-tetrahydropyran-4-ylpiper…

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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) 1.43 4.69 -37.41 1 3 1 31 198.286 2 ↓
Mid Mid (pH 6-8) 1.28 3.67 -13.32 1 3 0 37 197.278 1 ↓
Mid Mid (pH 6-8) 1.43 2.57 -4.39 0 3 0 30 197.278 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-tetrahydropyran-4-ylpiperidine-2-carbaldehyde (2R)-1-tetrahydropyran-4-ylpiper…

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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) 1.43 4.68 -37.2 1 3 1 31 198.286 2 ↓
Mid Mid (pH 6-8) 1.43 2.63 -4.37 0 3 0 30 197.278 2 ↓

Analogs

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Popular Name: 1-tetrahydropyran-4-ylpiperidine-4-carbaldehyde 1-tetrahydropyran-4-ylpiperidine…

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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) 1.31 4.98 -42.17 1 3 1 31 198.286 2 ↓
Hi High (pH 8-9.5) 1.31 2.57 -5.64 0 3 0 30 197.278 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-tetrahydropyran-4-yl-4-piperidyl)methyl]ethanamine N-[(1-tetrahydropyran-4-yl-4-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) 1.30 6.05 -97.19 3 3 2 30 228.38 4 ↓
Hi High (pH 8-9.5) 1.30 3.65 -38.37 2 3 1 29 227.372 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S)-1-tetrahydropyran-4-yl-3-piperidyl]methyl]ethanamine N-[[(3S)-1-tetrahydropyran-4-yl-…

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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) 1.30 6.03 -99.9 3 3 2 30 228.38 4 ↓
Mid Mid (pH 6-8) 1.30 3.84 -38.76 2 3 1 29 227.372 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R)-1-tetrahydropyran-4-yl-3-piperidyl]methyl]ethanamine N-[[(3R)-1-tetrahydropyran-4-yl-…

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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) 1.30 6.03 -99.87 3 3 2 30 228.38 4 ↓
Mid Mid (pH 6-8) 1.30 3.84 -38.77 2 3 1 29 227.372 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S)-1-tetrahydropyran-4-yl-2-piperidyl]methyl]ethanamine N-[[(2S)-1-tetrahydropyran-4-yl-…

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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) 1.42 5.66 -110.45 3 3 2 30 228.38 4 ↓
Mid Mid (pH 6-8) 1.42 4.21 -37.95 2 3 1 29 227.372 4 ↓

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