| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 13th, 2008 | 16 | Yes |
Popular Name: 2-{[(2R,6S)-2,6-dimethylpiperidinyl]methyl}azepane 2-{[(2R,6S)-2,6-dimethylpiperidi…
Find On: PubMed — Wikipedia — Google
CAS Number: 956266-24-3
2-([(2R,6S)-2,6-Dimethylpiperidinyl]methyl)azepane
2-[(2,6-dimethylpiperidin-1-yl)methyl]azepane
2-{[(2R,6S)-2,6-dimethyltetrahydro-1(2H)-pyridinyl]methyl}azepane
| 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) | 3.10 | 8.18 | -110.13 | 3 | 2 | 2 | 21 | 226.408 | 2 | ↓ |
| Hi High (pH 8-9.5) | 3.10 | 6.97 | -28.25 | 2 | 2 | 1 | 16 | 225.4 | 2 | ↓ |
| Hi High (pH 8-9.5) | 3.10 | 6.58 | -33.68 | 2 | 2 | 1 | 20 | 225.4 | 2 | ↓ |
