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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

26510913
26510913
26510916
26510916
31993294
31993294
31993295
31993295
37048959
37048959

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Popular Name: 1-methyl-4-(piperidin-3-ylmethyl)piperazine 1-methyl-4-(piperidin-3-ylmethyl…

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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) 0.44 4.29 -86.89 3 3 2 24 199.342 2 ↓
Mid Mid (pH 6-8) 0.44 3.85 -105.53 3 3 2 24 199.342 2 ↓
Mid Mid (pH 6-8) 0.44 1.82 -38.11 2 3 1 23 198.334 2 ↓

Analogs

26510913
26510913
26510916
26510916
31993294
31993294
31993295
31993295
37048959
37048959

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methyl-4-(piperidin-3-ylmethyl)piperazine 1-methyl-4-(piperidin-3-ylmethyl…

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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) 0.44 4.19 -87.52 3 3 2 24 199.342 2 ↓
Mid Mid (pH 6-8) 0.44 3.78 -105.78 3 3 2 24 199.342 2 ↓
Mid Mid (pH 6-8) 0.44 1.73 -38.57 2 3 1 23 198.334 2 ↓

Analogs

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Popular Name: 1-[[(3S)-3-ethyl-3-piperidyl]methyl]-4-methyl-piperazine 1-[[(3S)-3-ethyl-3-piperidyl]met…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.02 5.19 -80.22 3 3 2 24 227.396 3 ↓
Hi High (pH 8-9.5) 1.02 2.82 -37.95 2 3 1 23 226.388 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(3R)-3-ethyl-3-piperidyl]methyl]-4-methyl-piperazine 1-[[(3R)-3-ethyl-3-piperidyl]met…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.02 5.36 -84.27 3 3 2 24 227.396 3 ↓
Hi High (pH 8-9.5) 1.02 2.99 -38.69 2 3 1 23 226.388 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methyl-4-[[(3S)-3-methyl-3-piperidyl]methyl]piperazine 1-methyl-4-[[(3S)-3-methyl-3-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) 0.69 4.79 -80.5 3 3 2 24 213.369 2 ↓
Hi High (pH 8-9.5) 0.69 2.43 -38.03 2 3 1 23 212.361 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methyl-4-[[(3R)-3-methyl-3-piperidyl]methyl]piperazine 1-methyl-4-[[(3R)-3-methyl-3-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) 0.69 4.64 -80.59 3 3 2 24 213.369 2 ↓
Hi High (pH 8-9.5) 0.69 2.27 -37.97 2 3 1 23 212.361 2 ↓

Analogs

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Popular Name: 1-methyl-4-[[(3S)-3-propyl-3-piperidyl]methyl]piperazine 1-methyl-4-[[(3S)-3-propyl-3-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) 1.58 5.94 -81 3 3 2 24 241.423 4 ↓
Hi High (pH 8-9.5) 1.58 3.57 -38.57 2 3 1 23 240.415 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methyl-4-[[(3R)-3-propyl-3-piperidyl]methyl]piperazine 1-methyl-4-[[(3R)-3-propyl-3-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) 1.58 5.81 -88.77 3 3 2 24 241.423 4 ↓
Hi High (pH 8-9.5) 1.58 3.44 -37.34 2 3 1 23 240.415 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(3R)-3-ethyl-3-piperidyl]methyl]-4-propyl-piperazine 1-[[(3R)-3-ethyl-3-piperidyl]met…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.90 6.61 -89.87 3 3 2 24 255.45 5 ↓
Hi High (pH 8-9.5) 1.90 4.33 -36.24 2 3 1 23 254.442 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(3S)-3-ethyl-3-piperidyl]methyl]-4-propyl-piperazine 1-[[(3S)-3-ethyl-3-piperidyl]met…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.90 6.56 -89.92 3 3 2 24 255.45 5 ↓
Hi High (pH 8-9.5) 1.90 4.18 -37.16 2 3 1 23 254.442 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-ethyl-4-[[(3S)-3-ethyl-3-piperidyl]methyl]piperazine 1-ethyl-4-[[(3S)-3-ethyl-3-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) 1.40 5.87 -79.7 3 3 2 24 241.423 4 ↓
Hi High (pH 8-9.5) 1.40 3.59 -37.76 2 3 1 23 240.415 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-ethyl-4-[[(3R)-3-ethyl-3-piperidyl]methyl]piperazine 1-ethyl-4-[[(3R)-3-ethyl-3-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) 1.40 6.04 -83.99 3 3 2 24 241.423 4 ↓
Hi High (pH 8-9.5) 1.40 3.77 -38.41 2 3 1 23 240.415 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-ethyl-4-[[(3R)-3-methyl-3-piperidyl]methyl]piperazine 1-ethyl-4-[[(3R)-3-methyl-3-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) 1.06 5.29 -87.05 3 3 2 24 227.396 3 ↓
Hi High (pH 8-9.5) 1.06 3.06 -36.43 2 3 1 23 226.388 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-ethyl-4-[[(3S)-3-methyl-3-piperidyl]methyl]piperazine 1-ethyl-4-[[(3S)-3-methyl-3-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) 1.06 5.39 -79.94 3 3 2 24 227.396 3 ↓
Hi High (pH 8-9.5) 1.06 3.11 -37.65 2 3 1 23 226.388 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-ethyl-4-[[(3S)-3-propyl-3-piperidyl]methyl]piperazine 1-ethyl-4-[[(3S)-3-propyl-3-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) 1.96 6.62 -80.51 3 3 2 24 255.45 5 ↓
Hi High (pH 8-9.5) 1.96 4.35 -38.41 2 3 1 23 254.442 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-ethyl-4-[[(3R)-3-propyl-3-piperidyl]methyl]piperazine 1-ethyl-4-[[(3R)-3-propyl-3-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) 1.96 6.49 -88.8 3 3 2 24 255.45 5 ↓
Hi High (pH 8-9.5) 1.96 4.21 -37.16 2 3 1 23 254.442 5 ↓

Analogs

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Popular Name: 1-[[(3S)-3-ethyl-3-piperidyl]methyl]-4-isopropyl-piperazine 1-[[(3S)-3-ethyl-3-piperidyl]met…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.69 6.38 -79.01 3 3 2 24 255.45 4 ↓
Hi High (pH 8-9.5) 1.69 4.17 -37.65 2 3 1 23 254.442 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(3R)-3-ethyl-3-piperidyl]methyl]-4-isopropyl-piperazine 1-[[(3R)-3-ethyl-3-piperidyl]met…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.69 6.24 -87.21 3 3 2 24 255.45 4 ↓
Hi High (pH 8-9.5) 1.69 4.02 -36.42 2 3 1 23 254.442 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-isopropyl-4-[[(3R)-3-methyl-3-piperidyl]methyl]piperazine 1-isopropyl-4-[[(3R)-3-methyl-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) 1.36 5.8 -86.7 3 3 2 24 241.423 3 ↓
Hi High (pH 8-9.5) 1.36 3.42 -36.38 2 3 1 23 240.415 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-isopropyl-4-[[(3S)-3-methyl-3-piperidyl]methyl]piperazine 1-isopropyl-4-[[(3S)-3-methyl-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) 1.36 5.9 -79.2 3 3 2 24 241.423 3 ↓
Hi High (pH 8-9.5) 1.36 3.47 -37.31 2 3 1 23 240.415 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-isopropyl-4-[[(3S)-3-propyl-3-piperidyl]methyl]piperazine 1-isopropyl-4-[[(3S)-3-propyl-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) 2.25 7.14 -79.84 3 3 2 24 269.477 5 ↓
Hi High (pH 8-9.5) 2.25 4.92 -38.24 2 3 1 23 268.469 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-isopropyl-4-[[(3R)-3-propyl-3-piperidyl]methyl]piperazine 1-isopropyl-4-[[(3R)-3-propyl-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) 2.25 7 -88.18 3 3 2 24 269.477 5 ↓
Hi High (pH 8-9.5) 2.25 4.79 -37.02 2 3 1 23 268.469 5 ↓

Analogs

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Popular Name: 1-tert-butyl-4-[[(3S)-3-ethyl-3-piperidyl]methyl]piperazine 1-tert-butyl-4-[[(3S)-3-ethyl-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) 2.21 6.55 -87.06 3 3 2 24 269.477 4 ↓
Hi High (pH 8-9.5) 2.21 4.3 -37.12 2 3 1 23 268.469 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-tert-butyl-4-[[(3R)-3-ethyl-3-piperidyl]methyl]piperazine 1-tert-butyl-4-[[(3R)-3-ethyl-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) 2.21 6.46 -86.57 3 3 2 24 269.477 4 ↓
Hi High (pH 8-9.5) 2.21 4.31 -36.39 2 3 1 23 268.469 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-tert-butyl-4-[[(3S)-3-methyl-3-piperidyl]methyl]piperazine 1-tert-butyl-4-[[(3S)-3-methyl-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) 1.87 6.2 -78.56 3 3 2 24 255.45 3 ↓
Hi High (pH 8-9.5) 1.87 4.08 -37.34 2 3 1 23 254.442 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-tert-butyl-4-[[(3R)-3-methyl-3-piperidyl]methyl]piperazine 1-tert-butyl-4-[[(3R)-3-methyl-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) 1.87 6.05 -78.61 3 3 2 24 255.45 3 ↓
Hi High (pH 8-9.5) 1.87 3.92 -37.28 2 3 1 23 254.442 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-tert-butyl-4-[[(3S)-3-propyl-3-piperidyl]methyl]piperazine 1-tert-butyl-4-[[(3S)-3-propyl-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) 2.77 7.36 -79.14 3 3 2 24 283.504 5 ↓
Hi High (pH 8-9.5) 2.77 5.22 -37.89 2 3 1 23 282.496 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-tert-butyl-4-[[(3R)-3-propyl-3-piperidyl]methyl]piperazine 1-tert-butyl-4-[[(3R)-3-propyl-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) 2.77 7.22 -87.49 3 3 2 24 283.504 5 ↓
Hi High (pH 8-9.5) 2.77 5.09 -36.98 2 3 1 23 282.496 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(3R)-3-ethyl-3-piperidyl]methyl]-4-[(1R)-1-methylpropyl]piperazine 1-[[(3R)-3-ethyl-3-piperidyl]met…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.23 7.24 -91.46 3 3 2 24 269.477 5 ↓
Hi High (pH 8-9.5) 2.23 5.29 -36.59 2 3 1 23 268.469 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(3R)-3-ethyl-3-piperidyl]methyl]-4-[(1S)-1-methylpropyl]piperazine 1-[[(3R)-3-ethyl-3-piperidyl]met…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.23 7.23 -91.8 3 3 2 24 269.477 5 ↓
Hi High (pH 8-9.5) 2.23 5.3 -36.38 2 3 1 23 268.469 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(3S)-3-ethyl-3-piperidyl]methyl]-4-[(1R)-1-methylpropyl]piperazine 1-[[(3S)-3-ethyl-3-piperidyl]met…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.23 6.9 -88.31 3 3 2 24 269.477 5 ↓
Hi High (pH 8-9.5) 2.23 4.88 -36.9 2 3 1 23 268.469 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(3S)-3-ethyl-3-piperidyl]methyl]-4-[(1S)-1-methylpropyl]piperazine 1-[[(3S)-3-ethyl-3-piperidyl]met…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.23 6.89 -87.97 3 3 2 24 269.477 5 ↓
Hi High (pH 8-9.5) 2.23 4.87 -37.11 2 3 1 23 268.469 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(3R)-3-methyl-3-piperidyl]methyl]-4-[(1R)-1-methylpropyl]piperazine 1-[[(3R)-3-methyl-3-piperidyl]me…

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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) 1.89 6.49 -86.29 3 3 2 24 255.45 4 ↓
Hi High (pH 8-9.5) 1.89 4.52 -36.25 2 3 1 23 254.442 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(3R)-3-methyl-3-piperidyl]methyl]-4-[(1S)-1-methylpropyl]piperazine 1-[[(3R)-3-methyl-3-piperidyl]me…

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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) 1.89 6.58 -86.45 3 3 2 24 255.45 4 ↓
Hi High (pH 8-9.5) 1.89 4.51 -36.09 2 3 1 23 254.442 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(3S)-3-methyl-3-piperidyl]methyl]-4-[(1R)-1-methylpropyl]piperazine 1-[[(3S)-3-methyl-3-piperidyl]me…

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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) 1.89 6.33 -87.31 3 3 2 24 255.45 4 ↓
Hi High (pH 8-9.5) 1.89 4.51 -36.3 2 3 1 23 254.442 4 ↓

Analogs

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Popular Name: 1-[[(3S)-3-methyl-3-piperidyl]methyl]-4-[(1S)-1-methylpropyl]piperazine 1-[[(3S)-3-methyl-3-piperidyl]me…

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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) 1.89 6.35 -86.78 3 3 2 24 255.45 4 ↓
Hi High (pH 8-9.5) 1.89 4.48 -36.39 2 3 1 23 254.442 4 ↓

Analogs

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Popular Name: 1-[(1S)-1-methylpropyl]-4-[[(3S)-3-propyl-3-piperidyl]methyl]piperazine 1-[(1S)-1-methylpropyl]-4-[[(3S)…

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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) 2.79 7.67 -88.61 3 3 2 24 283.504 6 ↓
Hi High (pH 8-9.5) 2.79 5.82 -37.36 2 3 1 23 282.496 6 ↓

Analogs

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Popular Name: 1-[(1S)-1-methylpropyl]-4-[[(3R)-3-propyl-3-piperidyl]methyl]piperazine 1-[(1S)-1-methylpropyl]-4-[[(3R)…

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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) 2.79 7.63 -88.83 3 3 2 24 283.504 6 ↓
Hi High (pH 8-9.5) 2.79 5.69 -36.82 2 3 1 23 282.496 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R)-1-methylpropyl]-4-[[(3S)-3-propyl-3-piperidyl]methyl]piperazine 1-[(1R)-1-methylpropyl]-4-[[(3S)…

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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) 2.79 7.67 -88.98 3 3 2 24 283.504 6 ↓
Hi High (pH 8-9.5) 2.79 5.65 -37.22 2 3 1 23 282.496 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R)-1-methylpropyl]-4-[[(3R)-3-propyl-3-piperidyl]methyl]piperazine 1-[(1R)-1-methylpropyl]-4-[[(3R)…

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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) 2.79 7.86 -84.61 3 3 2 24 283.504 6 ↓
Hi High (pH 8-9.5) 2.79 5.98 -38.3 2 3 1 23 282.496 6 ↓

Analogs

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Popular Name: 1-[[(3S)-3-ethyl-3-piperidyl]methyl]-4-isobutyl-piperazine 1-[[(3S)-3-ethyl-3-piperidyl]met…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.14 7.26 -90.42 3 3 2 24 269.477 5 ↓
Hi High (pH 8-9.5) 2.14 5.36 -36.92 2 3 1 23 268.469 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(3R)-3-ethyl-3-piperidyl]methyl]-4-isobutyl-piperazine 1-[[(3R)-3-ethyl-3-piperidyl]met…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.14 7.23 -89.77 3 3 2 24 269.477 5 ↓
Hi High (pH 8-9.5) 2.14 5.18 -36.24 2 3 1 23 268.469 5 ↓

Analogs

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Popular Name: 1-isobutyl-4-[[(3R)-3-methyl-3-piperidyl]methyl]piperazine 1-isobutyl-4-[[(3R)-3-methyl-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) 1.81 6.88 -81.2 3 3 2 24 255.45 4 ↓
Hi High (pH 8-9.5) 1.81 4.77 -37.33 2 3 1 23 254.442 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-isobutyl-4-[[(3S)-3-methyl-3-piperidyl]methyl]piperazine 1-isobutyl-4-[[(3S)-3-methyl-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) 1.81 6.82 -81.13 3 3 2 24 255.45 4 ↓
Hi High (pH 8-9.5) 1.81 4.92 -37.1 2 3 1 23 254.442 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-isobutyl-4-[[(3S)-3-propyl-3-piperidyl]methyl]piperazine 1-isobutyl-4-[[(3S)-3-propyl-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) 2.70 8.07 -81.85 3 3 2 24 283.504 6 ↓
Hi High (pH 8-9.5) 2.70 6.07 -37.97 2 3 1 23 282.496 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-isobutyl-4-[[(3R)-3-propyl-3-piperidyl]methyl]piperazine 1-isobutyl-4-[[(3R)-3-propyl-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) 2.70 8.24 -86.31 3 3 2 24 283.504 6 ↓
Hi High (pH 8-9.5) 2.70 6.45 -38.73 2 3 1 23 282.496 6 ↓

Analogs

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Popular Name: 2-[4-[[(3S)-3-ethyl-3-piperidyl]methyl]piperazin-1-yl]-N,N-dimethyl-ethanamine 2-[4-[[(3S)-3-ethyl-3-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) 1.05 6.53 -169.02 4 4 3 29 285.5 6 ↓
Hi High (pH 8-9.5) 1.05 2.23 -37.89 2 4 1 26 283.484 6 ↓
Mid Mid (pH 6-8) 1.05 4.71 -81.15 3 4 2 28 284.492 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[[(3R)-3-ethyl-3-piperidyl]methyl]piperazin-1-yl]-N,N-dimethyl-ethanamine 2-[4-[[(3R)-3-ethyl-3-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) 1.05 6.55 -173.57 4 4 3 29 285.5 6 ↓
Hi High (pH 8-9.5) 1.05 2.25 -37.26 2 4 1 26 283.484 6 ↓
Mid Mid (pH 6-8) 1.05 4.72 -80.1 3 4 2 28 284.492 6 ↓

Analogs

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Popular Name: N,N-dimethyl-2-[4-[[(3S)-3-methyl-3-piperidyl]methyl]piperazin-1-yl]ethanamine N,N-dimethyl-2-[4-[[(3S)-3-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) 0.72 5.98 -159.22 4 4 3 29 271.473 5 ↓
Hi High (pH 8-9.5) 0.72 2.18 -37.88 2 4 1 26 269.457 5 ↓
Mid Mid (pH 6-8) 0.72 4.67 -77.96 3 4 2 28 270.465 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-dimethyl-2-[4-[[(3R)-3-methyl-3-piperidyl]methyl]piperazin-1-yl]ethanamine N,N-dimethyl-2-[4-[[(3R)-3-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) 0.72 6.11 -158.59 4 4 3 29 271.473 5 ↓
Hi High (pH 8-9.5) 0.72 1.85 -38.11 2 4 1 26 269.457 5 ↓
Mid Mid (pH 6-8) 0.72 4.32 -78.5 3 4 2 28 270.465 5 ↓

Parameters Provided:

ring.id = 47411
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 = 47411 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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