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Analogs

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Popular Name: 4,6-diamino-2-(1-piperidyl)pyridine-3-carbonitrile 4,6-diamino-2-(1-piperidyl)pyrid…

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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) 0.99 3.84 -31.88 5 5 1 93 218.284 1 ↓
Mid Mid (pH 6-8) 0.99 3.36 -6.8 4 5 0 92 217.276 1 ↓

Analogs

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Popular Name: (3R)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]-1-[3-(trifluoromethyl)-2-pyridyl]piperidine-3-carboxamide (3R)-N-[2-oxo-2-(prop-2-ynylamin…

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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) 1.63 5.18 -11.78 2 6 0 74 368.359 6 ↓

Analogs

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Popular Name: (3S)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]-1-[3-(trifluoromethyl)-2-pyridyl]piperidine-3-carboxamide (3S)-N-[2-oxo-2-(prop-2-ynylamin…

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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) 1.63 5.18 -11.82 2 6 0 74 368.359 6 ↓

Analogs

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Popular Name: 2-(4-propyl-1-piperidyl)pyridine-4-carbonitrile 2-(4-propyl-1-piperidyl)pyridine…

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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) 3.24 8.76 -5 0 3 0 40 229.327 3 ↓

Analogs

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Popular Name: 6-(4-propyl-1-piperidyl)pyridine-3-carbonitrile 6-(4-propyl-1-piperidyl)pyridine…

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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) 3.29 8.76 -5.92 0 3 0 40 229.327 3 ↓

Analogs

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Popular Name: 2-(4-propyl-1-piperidyl)pyridine-3-carbonitrile 2-(4-propyl-1-piperidyl)pyridine…

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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) 3.24 8.76 -6.42 0 3 0 40 229.327 3 ↓

Analogs

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Popular Name: 4,6-dimethyl-2-(4-propyl-1-piperidyl)pyridine-3-carbonitrile 4,6-dimethyl-2-(4-propyl-1-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) 4.06 9.88 -6.01 0 3 0 40 257.381 3 ↓

Analogs

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Popular Name: 6-methyl-2-(4-propyl-1-piperidyl)pyridine-3-carbonitrile 6-methyl-2-(4-propyl-1-piperidyl…

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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) 3.29 9.37 -6.16 0 3 0 40 243.354 3 ↓

Analogs

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Popular Name: 6-(4-propyl-1-piperidyl)pyridine-3-carbothioamide 6-(4-propyl-1-piperidyl)pyridine…

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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) 3.34 7.58 -11.95 2 3 0 42 263.41 4 ↓
Lo Low (pH 4.5-6) 3.34 7.91 -43.78 3 3 1 43 264.418 4 ↓

Analogs

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Popular Name: 2-(4-propyl-1-piperidyl)pyridine-4-carbothioamide 2-(4-propyl-1-piperidyl)pyridine…

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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) 3.29 7.59 -11.86 2 3 0 42 263.41 4 ↓
Mid Mid (pH 6-8) 3.29 7.94 -41.88 3 3 1 43 264.418 4 ↓

Analogs

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Popular Name: 2-(4-propyl-1-piperidyl)pyridine-3-carbothioamide 2-(4-propyl-1-piperidyl)pyridine…

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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) 3.29 7.54 -11.06 2 3 0 42 263.41 4 ↓
Lo Low (pH 4.5-6) 3.29 8 -40.35 3 3 1 43 264.418 4 ↓

Analogs

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Popular Name: 4,6-dimethyl-2-(4-propyl-1-piperidyl)pyridine-3-carbothioamide 4,6-dimethyl-2-(4-propyl-1-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) 4.10 9.13 -35.85 3 3 1 43 292.472 4 ↓
Mid Mid (pH 6-8) 4.10 8.71 -11.05 2 3 0 42 291.464 4 ↓

Analogs

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Popular Name: 6-methyl-2-(4-propyl-1-piperidyl)pyridine-3-carbothioamide 6-methyl-2-(4-propyl-1-piperidyl…

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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) 3.34 8.15 -10.98 2 3 0 42 277.437 4 ↓
Mid Mid (pH 6-8) 3.34 8.57 -35.99 3 3 1 43 278.445 4 ↓

Analogs

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Popular Name: 2-(4-propyl-1-piperidyl)pyridine-4-carboxylic 2-(4-propyl-1-piperidyl)pyridine…

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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) 3.40 9.28 -44.2 1 4 0 58 248.326 4 ↓
Mid Mid (pH 6-8) 3.40 8.93 -46.95 0 4 -1 56 247.318 4 ↓

Analogs

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Popular Name: 5-chloro-6-(4-propyl-1-piperidyl)pyridine-3-carboxylic 5-chloro-6-(4-propyl-1-piperidyl…

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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) 3.72 9.4 -41.37 0 4 -1 56 281.763 4 ↓
Lo Low (pH 4.5-6) 3.72 9.88 -31.81 1 4 0 58 282.771 4 ↓

Analogs

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Popular Name: 6-(4-propyl-1-piperidyl)pyridine-3-carboxylic 6-(4-propyl-1-piperidyl)pyridine…

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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) 3.11 9.26 -39.23 1 4 0 58 248.326 4 ↓
Mid Mid (pH 6-8) 3.11 8.93 -48.35 0 4 -1 56 247.318 4 ↓

Analogs

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Popular Name: 2-(4-propyl-1-piperidyl)pyridine-3-carboxylic 2-(4-propyl-1-piperidyl)pyridine…

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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) 3.06 9.71 -46.01 1 4 0 58 248.326 4 ↓
Mid Mid (pH 6-8) 3.06 9.24 -48.99 0 4 -1 56 247.318 4 ↓

Analogs

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Popular Name: 3-chloro-6-(4-propyl-1-piperidyl)pyridine-2-carboxylic 3-chloro-6-(4-propyl-1-piperidyl…

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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) 4.19 9.32 -53.37 0 4 -1 56 281.763 4 ↓
Lo Low (pH 4.5-6) 4.19 9.62 -32.26 1 4 0 58 282.771 4 ↓

Analogs

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Popular Name: 2-chloro-6-(4-propyl-1-piperidyl)pyridine-4-carboxylic 2-chloro-6-(4-propyl-1-piperidyl…

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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) 4.42 9.35 -42.86 0 4 -1 56 281.763 4 ↓

Analogs

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Popular Name: 4,6-dimethyl-2-(4-propyl-1-piperidyl)pyridine-3-carboxylic 4,6-dimethyl-2-(4-propyl-1-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) 3.87 10.65 -44.31 1 4 0 58 276.38 4 ↓

Analogs

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Popular Name: 5-bromo-2-(4-propyl-1-piperidyl)pyridine-3-carboxylic 5-bromo-2-(4-propyl-1-piperidyl)…

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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) 4.01 9.85 -43.65 0 4 -1 56 326.214 4 ↓
Lo Low (pH 4.5-6) 4.01 10.31 -38.78 1 4 0 58 327.222 4 ↓

Analogs

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Popular Name: 6-chloro-3-nitro-2-(4-propyl-1-piperidyl)pyridine 6-chloro-3-nitro-2-(4-propyl-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) 4.46 9.79 -4.98 0 5 0 62 283.759 4 ↓

Analogs

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Popular Name: 2-fluoro-6-(4-propyl-1-piperidyl)pyridine 2-fluoro-6-(4-propyl-1-piperidyl…

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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) 4.04 8.33 -6.04 0 2 0 16 222.307 3 ↓
Lo Low (pH 4.5-6) 4.04 8.66 -25.98 1 2 1 17 223.315 3 ↓

Analogs

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Popular Name: (3S)-1-(6-chloro-3-nitro-2-pyridyl)piperidin-3-ol (3S)-1-(6-chloro-3-nitro-2-pyrid…

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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) 1.83 4.41 -7.03 1 6 0 82 257.677 2 ↓

Analogs

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Popular Name: (3R)-1-(6-chloro-3-nitro-2-pyridyl)piperidin-3-ol (3R)-1-(6-chloro-3-nitro-2-pyrid…

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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) 1.83 4.4 -7.07 1 6 0 82 257.677 2 ↓

Analogs

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Popular Name: 2-[[[1-(2-pyridyl)-4-piperidyl]amino]methylene]propanedinitrile 2-[[[1-(2-pyridyl)-4-piperidyl]a…

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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) 1.00 7.41 -44.9 2 5 1 77 254.317 3 ↓
Mid Mid (pH 6-8) 1.00 7.09 -16.56 1 5 0 76 253.309 3 ↓

Analogs

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Popular Name: [1-(5-amino-3-methyl-2-pyridyl)-4-piperidyl]methanol [1-(5-amino-3-methyl-2-pyridyl)-…

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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 2.81 -27.18 4 4 1 64 222.312 2 ↓
Mid Mid (pH 6-8) 1.31 2.53 -28.17 4 4 1 64 222.312 2 ↓
Mid Mid (pH 6-8) 1.31 2.34 -6.77 3 4 0 62 221.304 2 ↓

Analogs

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Popular Name: 6-[(2R)-2-ethyl-1-piperidyl]-5-methyl-pyridin-3-amine 6-[(2R)-2-ethyl-1-piperidyl]-5-m…

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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) 2.94 6.1 -24.36 3 3 1 43 220.34 2 ↓
Mid Mid (pH 6-8) 2.94 5.62 -4.95 2 3 0 42 219.332 2 ↓

Analogs

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Popular Name: 6-[(2S)-2-ethyl-1-piperidyl]-5-methyl-pyridin-3-amine 6-[(2S)-2-ethyl-1-piperidyl]-5-m…

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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) 2.94 6.24 -24.31 3 3 1 43 220.34 2 ↓
Mid Mid (pH 6-8) 2.94 5.78 -4.91 2 3 0 42 219.332 2 ↓

Analogs

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Popular Name: 6-(4-methoxy-1-piperidyl)-5-methyl-pyridin-3-amine 6-(4-methoxy-1-piperidyl)-5-meth…

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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) 0.81 4.51 -26.56 3 4 1 53 222.312 2 ↓
Mid Mid (pH 6-8) 0.81 4.04 -7.09 2 4 0 51 221.304 2 ↓

Analogs

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Popular Name: (3S)-1-(5-amino-3-methyl-2-pyridyl)piperidin-3-ol (3S)-1-(5-amino-3-methyl-2-pyrid…

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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) 0.93 2.15 -26.92 4 4 1 64 208.285 1 ↓
Mid Mid (pH 6-8) 0.93 1.68 -6.42 3 4 0 62 207.277 1 ↓

Analogs

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Popular Name: (3R)-1-(5-amino-3-methyl-2-pyridyl)piperidin-3-ol (3R)-1-(5-amino-3-methyl-2-pyrid…

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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) 0.93 2.15 -26.86 4 4 1 64 208.285 1 ↓
Mid Mid (pH 6-8) 0.93 1.68 -6.56 3 4 0 62 207.277 1 ↓

Analogs

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Popular Name: 1-(5-amino-3-methyl-2-pyridyl)-N-methyl-piperidine-4-carboxamide 1-(5-amino-3-methyl-2-pyridyl)-N…

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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) 1.05 3.68 -32.42 4 5 1 72 249.338 2 ↓
Mid Mid (pH 6-8) 1.05 3.22 -13.12 3 5 0 71 248.33 2 ↓

Analogs

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Popular Name: 6-(3-ethylpiperidin-1-yl)-5-methylpyridin-3-amine 6-(3-ethylpiperidin-1-yl)-5-meth…

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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 6.79 -24.76 3 3 1 43 220.34 2 ↓
Mid Mid (pH 6-8) 2.82 6.32 -5.17 2 3 0 42 219.332 2 ↓

Analogs

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Popular Name: 6-(3-ethylpiperidin-1-yl)-5-methylpyridin-3-amine 6-(3-ethylpiperidin-1-yl)-5-meth…

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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 6.79 -24.74 3 3 1 43 220.34 2 ↓
Mid Mid (pH 6-8) 2.82 6.32 -5.26 2 3 0 42 219.332 2 ↓

Analogs

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Popular Name: 6-[4-(dimethylamino)-1-piperidyl]-5-methyl-pyridin-3-amine 6-[4-(dimethylamino)-1-piperidyl…

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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) 1.59 6.51 -78.2 4 4 2 48 236.363 2 ↓
Mid Mid (pH 6-8) 1.59 6.04 -34.93 3 4 1 47 235.355 2 ↓

Analogs

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Popular Name: [(3S)-1-(5-amino-3-methyl-2-pyridyl)-3-piperidyl]methanol [(3S)-1-(5-amino-3-methyl-2-pyri…

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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 2.8 -27.24 4 4 1 64 222.312 2 ↓
Mid Mid (pH 6-8) 1.31 2.34 -7.98 3 4 0 62 221.304 2 ↓

Analogs

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Popular Name: [(3R)-1-(5-amino-3-methyl-2-pyridyl)-3-piperidyl]methanol [(3R)-1-(5-amino-3-methyl-2-pyri…

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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 2.81 -27.22 4 4 1 64 222.312 2 ↓
Mid Mid (pH 6-8) 1.31 2.34 -7.9 3 4 0 62 221.304 2 ↓

Analogs

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Popular Name: 6-(4-ethoxy-1-piperidyl)-5-methyl-pyridin-3-amine 6-(4-ethoxy-1-piperidyl)-5-methy…

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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) 1.19 5.52 -26.46 3 4 1 53 236.339 3 ↓
Mid Mid (pH 6-8) 1.19 5.05 -7.03 2 4 0 51 235.331 3 ↓

Analogs

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Popular Name: [(2R)-1-(5-amino-3-methyl-2-pyridyl)-2-piperidyl]methanol [(2R)-1-(5-amino-3-methyl-2-pyri…

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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 2.57 -24.1 4 4 1 64 222.312 2 ↓
Mid Mid (pH 6-8) 1.43 2.14 -6.61 3 4 0 62 221.304 2 ↓

Analogs

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Popular Name: [(2S)-1-(5-amino-3-methyl-2-pyridyl)-2-piperidyl]methanol [(2S)-1-(5-amino-3-methyl-2-pyri…

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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 2.65 -24.14 4 4 1 64 222.312 2 ↓
Mid Mid (pH 6-8) 1.43 2.2 -6.7 3 4 0 62 221.304 2 ↓

Analogs

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Popular Name: 1-(3-methyl-5-nitro-2-pyridyl)piperidin-4-amine 1-(3-methyl-5-nitro-2-pyridyl)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) 0.91 5.08 -49.51 3 6 1 90 237.283 2 ↓

Analogs

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Popular Name: 6-(4-ethyl-1-piperidyl)-5-methyl-pyridin-3-amine 6-(4-ethyl-1-piperidyl)-5-methyl…

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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) 3.00 6.81 -24.8 3 3 1 43 220.34 2 ↓
Mid Mid (pH 6-8) 3.00 6.51 -26.14 3 3 1 43 220.34 2 ↓
Mid Mid (pH 6-8) 3.00 6.34 -5.15 2 3 0 42 219.332 2 ↓

Analogs

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Popular Name: N-methyl-1-[(3R)-1-(3-methyl-5-nitro-2-pyridyl)-3-piperidyl]methanamine N-methyl-1-[(3R)-1-(3-methyl-5-n…

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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 7.71 -44.66 2 6 1 79 265.337 4 ↓

Analogs

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Popular Name: N-methyl-1-[(3S)-1-(3-methyl-5-nitro-2-pyridyl)-3-piperidyl]methanamine N-methyl-1-[(3S)-1-(3-methyl-5-n…

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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 7.72 -44.25 2 6 1 79 265.337 4 ↓

Analogs

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Popular Name: (3S)-1-(3-methyl-5-nitro-2-pyridyl)piperidin-3-amine (3S)-1-(3-methyl-5-nitro-2-pyrid…

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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) 0.91 5.09 -50.02 3 6 1 90 237.283 2 ↓

Analogs

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Popular Name: (3R)-1-(3-methyl-5-nitro-2-pyridyl)piperidin-3-amine (3R)-1-(3-methyl-5-nitro-2-pyrid…

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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) 0.91 5.09 -49.5 3 6 1 90 237.283 2 ↓

Analogs

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Popular Name: [1-(3-methyl-5-nitro-2-pyridyl)-4-piperidyl]methanamine [1-(3-methyl-5-nitro-2-pyridyl)-…

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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) 1.22 5.86 -50.43 3 6 1 90 251.31 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-1-(3-methyl-5-nitro-2-pyridyl)-3-piperidyl]methanamine [(3R)-1-(3-methyl-5-nitro-2-pyri…

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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) 1.22 5.84 -49.67 3 6 1 90 251.31 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-1-(3-methyl-5-nitro-2-pyridyl)-3-piperidyl]methanamine [(3S)-1-(3-methyl-5-nitro-2-pyri…

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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) 1.22 5.84 -49.26 3 6 1 90 251.31 3 ↓

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