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Analogs

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Popular Name: 1-methyl-N-[(1R)-1-(2-pyridyl)ethyl]piperidin-4-amine 1-methyl-N-[(1R)-1-(2-pyridyl)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) 1.31 5.41 -35.08 2 3 1 29 220.34 3 ↓
Mid Mid (pH 6-8) 1.31 4.2 -33.21 2 3 1 33 220.34 3 ↓
Lo Low (pH 4.5-6) 1.31 6.62 -97.7 3 3 2 34 221.348 3 ↓

Analogs

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Popular Name: 1-methyl-N-[(1S)-1-(2-pyridyl)ethyl]piperidin-4-amine 1-methyl-N-[(1S)-1-(2-pyridyl)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) 1.31 5.45 -35.3 2 3 1 29 220.34 3 ↓
Mid Mid (pH 6-8) 1.31 4.22 -33.17 2 3 1 33 220.34 3 ↓
Lo Low (pH 4.5-6) 1.31 6.64 -97.68 3 3 2 34 221.348 3 ↓

Analogs

37786362
37786362
37786363
37786363

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Popular Name: 1-ethyl-N-[(1S)-1-(2-pyridyl)ethyl]piperidin-4-amine 1-ethyl-N-[(1S)-1-(2-pyridyl)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) 1.68 6.08 -34.01 2 3 1 29 234.367 4 ↓
Mid Mid (pH 6-8) 1.68 4.88 -32.99 2 3 1 33 234.367 4 ↓
Lo Low (pH 4.5-6) 1.68 6.49 -76.6 3 3 2 31 235.375 4 ↓

Analogs

37786362
37786362
37786363
37786363

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Popular Name: 1-ethyl-N-[(1R)-1-(2-pyridyl)ethyl]piperidin-4-amine 1-ethyl-N-[(1R)-1-(2-pyridyl)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) 1.68 6.09 -33.92 2 3 1 29 234.367 4 ↓
Mid Mid (pH 6-8) 1.68 4.88 -33.06 2 3 1 33 234.367 4 ↓
Lo Low (pH 4.5-6) 1.68 6.44 -77.88 3 3 2 31 235.375 4 ↓

Analogs

34560638
34560638
23750959
23750959
8699746
8699746

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Popular Name: tert-Butyl 4-[(pyridine-2-ylmethyl)amino]piperidine-1-carboxylate tert-Butyl 4-[(pyridine-2-ylmeth…

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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) 1.78 6.51 -46.82 2 5 1 59 292.403 5 ↓
Hi High (pH 8-9.5) 1.78 5.33 -8.1 1 5 0 54 291.395 5 ↓

Analogs

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Popular Name: N-[(5-bromo-2-pyridyl)methyl]-1-methyl-piperidin-4-amine N-[(5-bromo-2-pyridyl)methyl]-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) 1.73 5.08 -35.27 2 3 1 29 285.209 3 ↓
Lo Low (pH 4.5-6) 1.73 6.26 -106.23 3 3 2 34 286.217 3 ↓

Analogs

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Popular Name: ethyl 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) 1.59 3.9 -51.99 2 6 1 68 294.375 6 ↓
Hi High (pH 8-9.5) 1.59 2.72 -9.8 1 6 0 64 293.367 6 ↓

Analogs

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Popular Name: N-[(6-methoxy-2-pyridyl)methyl]-1-methyl-piperidin-4-amine N-[(6-methoxy-2-pyridyl)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) 1.14 2.96 -36.45 2 4 1 39 236.339 4 ↓
Lo Low (pH 4.5-6) 1.14 4.14 -105.63 3 4 2 43 237.347 4 ↓

Analogs

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Popular Name: N-[(6-methoxy-2-pyridyl)methyl]-1-methylsulfonyl-piperidin-4-amine N-[(6-methoxy-2-pyridyl)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) 0.52 0.72 -55.99 2 6 1 76 300.404 5 ↓
Hi High (pH 8-9.5) 0.52 -0.47 -13.57 1 6 0 72 299.396 5 ↓

Analogs

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Popular Name: N-[(6-methoxy-2-pyridyl)methyl]-1-propyl-piperidin-4-amine N-[(6-methoxy-2-pyridyl)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) 2.02 4.37 -36.13 2 4 1 39 264.393 6 ↓
Lo Low (pH 4.5-6) 2.02 5.55 -107.86 3 4 2 43 265.401 6 ↓

Analogs

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Popular Name: N-[(6-methoxy-2-pyridyl)methyl]-N-methyl-piperidin-4-amine N-[(6-methoxy-2-pyridyl)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) 0.79 1.72 -42.45 2 4 1 42 236.339 4 ↓
Lo Low (pH 4.5-6) 0.79 4.25 -106.91 3 4 2 43 237.347 4 ↓

Analogs

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Popular Name: N-ethyl-N-[(6-methoxy-2-pyridyl)methyl]piperidin-4-amine N-ethyl-N-[(6-methoxy-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) 1.17 2.05 -43.33 2 4 1 42 250.366 5 ↓
Lo Low (pH 4.5-6) 1.17 4.03 -103.37 3 4 2 43 251.374 5 ↓

Analogs

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Popular Name: N-[(6-methoxy-2-pyridyl)methyl]-N-propyl-piperidin-4-amine N-[(6-methoxy-2-pyridyl)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) 1.67 2.74 -43.63 2 4 1 42 264.393 6 ↓
Lo Low (pH 4.5-6) 1.67 4.74 -104.77 3 4 2 43 265.401 6 ↓

Analogs

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Popular Name: 2-[(6-methoxy-2-pyridyl)methyl-(4-piperidyl)amino]acetamide 2-[(6-methoxy-2-pyridyl)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) -0.48 -1.91 -42.79 4 6 1 85 279.364 6 ↓

Analogs

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Popular Name: N-[(5-ethyl-2-pyridyl)methyl]-N,2,2,6,6-pentamethyl-piperidin-4-amine N-[(5-ethyl-2-pyridyl)methyl]-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) 3.28 6.63 -33.47 2 3 1 33 290.475 4 ↓
Mid Mid (pH 6-8) 3.28 7.04 -77.22 3 3 2 34 291.483 4 ↓

Analogs

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

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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) -0.34 3.79 -42.87 2 5 1 53 277.392 5 ↓
Hi High (pH 8-9.5) -0.34 2.6 -10.8 1 5 0 48 276.384 5 ↓
Mid Mid (pH 6-8) -0.34 4.78 -40.33 2 5 1 50 277.392 5 ↓

Analogs

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Popular Name: 1-prop-2-ynyl-N-(2-pyridylmethyl)piperidin-4-amine 1-prop-2-ynyl-N-(2-pyridylmethyl…

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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 4.6 -39.61 2 3 1 33 230.335 4 ↓

Analogs

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Popular Name: 1-(3-methylbut-2-enyl)-N-(2-pyridylmethyl)piperidin-4-amine 1-(3-methylbut-2-enyl)-N-(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) 2.42 7.14 -34.34 2 3 1 29 260.405 5 ↓
Mid Mid (pH 6-8) 2.42 6.06 -37.73 2 3 1 33 260.405 5 ↓
Lo Low (pH 4.5-6) 2.42 7.54 -78.48 3 3 2 31 261.413 5 ↓

Analogs

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Popular Name: 4-(2-pyridylmethylamino)piperidine-1-carboxamide 4-(2-pyridylmethylamino)piperidi…

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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) 0.02 2.08 -49.94 4 5 1 76 235.311 3 ↓

Analogs

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Popular Name: N-(2-pyridylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine N-(2-pyridylmethyl)-1-(2,2,2-tri…

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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) 1.67 4.62 -41.49 2 3 1 33 274.31 5 ↓

Analogs

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Popular Name: N,N-dimethyl-2-[4-[[(1S)-1-(2-pyridyl)ethyl]amino]-1-piperidyl]acetamide N,N-dimethyl-2-[4-[[(1S)-1-(2-py…

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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) 0.21 4.65 -37.7 2 5 1 53 291.419 5 ↓
Hi High (pH 8-9.5) 0.21 3.58 -10.74 1 5 0 48 290.411 5 ↓
Mid Mid (pH 6-8) 0.21 5.77 -39.03 2 5 1 50 291.419 5 ↓

Analogs

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Popular Name: N,N-dimethyl-2-[4-[[(1R)-1-(2-pyridyl)ethyl]amino]-1-piperidyl]acetamide N,N-dimethyl-2-[4-[[(1R)-1-(2-py…

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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) 0.21 4.53 -38.41 2 5 1 53 291.419 5 ↓
Hi High (pH 8-9.5) 0.21 3.49 -11.68 1 5 0 48 290.411 5 ↓
Mid Mid (pH 6-8) 0.21 5.68 -41.14 2 5 1 50 291.419 5 ↓

Analogs

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Popular Name: 1-prop-2-ynyl-N-[(1S)-1-(2-pyridyl)ethyl]piperidin-4-amine 1-prop-2-ynyl-N-[(1S)-1-(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) 1.46 5.49 -34.73 2 3 1 33 244.362 4 ↓

Analogs

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Popular Name: 1-prop-2-ynyl-N-[(1R)-1-(2-pyridyl)ethyl]piperidin-4-amine 1-prop-2-ynyl-N-[(1R)-1-(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) 1.46 5.37 -34.76 2 3 1 33 244.362 4 ↓

Analogs

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Popular Name: 1-(3-methylbut-2-enyl)-N-[(1S)-1-(2-pyridyl)ethyl]piperidin-4-amine 1-(3-methylbut-2-enyl)-N-[(1S)-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) 2.98 8.12 -32.43 2 3 1 29 274.432 5 ↓
Mid Mid (pH 6-8) 2.98 6.96 -32.95 2 3 1 33 274.432 5 ↓
Lo Low (pH 4.5-6) 2.98 8.26 -81.32 3 3 2 31 275.44 5 ↓

Analogs

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Popular Name: 1-(3-methylbut-2-enyl)-N-[(1R)-1-(2-pyridyl)ethyl]piperidin-4-amine 1-(3-methylbut-2-enyl)-N-[(1R)-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) 2.98 8.07 -34.38 2 3 1 29 274.432 5 ↓
Mid Mid (pH 6-8) 2.98 6.84 -32.67 2 3 1 33 274.432 5 ↓
Lo Low (pH 4.5-6) 2.98 8.46 -78.37 3 3 2 31 275.44 5 ↓

Analogs

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Popular Name: 4-[[(1S)-1-(2-pyridyl)ethyl]amino]piperidine-1-carboxamide 4-[[(1S)-1-(2-pyridyl)ethyl]amin…

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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) 0.58 2.98 -42.53 4 5 1 76 249.338 3 ↓

Analogs

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Popular Name: 4-[[(1R)-1-(2-pyridyl)ethyl]amino]piperidine-1-carboxamide 4-[[(1R)-1-(2-pyridyl)ethyl]amin…

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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) 0.58 2.85 -43.8 4 5 1 76 249.338 3 ↓

Analogs

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Popular Name: N-[(1S)-1-(2-pyridyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine N-[(1S)-1-(2-pyridyl)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) 2.23 5.5 -35.45 2 3 1 33 288.337 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(2-pyridyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine N-[(1R)-1-(2-pyridyl)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) 2.23 5.4 -36.13 2 3 1 33 288.337 5 ↓

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
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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 = 23893 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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