{2-[2-(azepan-1-yl)ethyl]piperidin-1-yl}(3-chloro-4-methoxyphenyl)methanone--hydrogen chloride (1/1)
Chemical Structure Depiction of
{2-[2-(azepan-1-yl)ethyl]piperidin-1-yl}(3-chloro-4-methoxyphenyl)methanone--hydrogen chloride (1/1)
{2-[2-(azepan-1-yl)ethyl]piperidin-1-yl}(3-chloro-4-methoxyphenyl)methanone--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D185-0940 |
| Compound Name: | {2-[2-(azepan-1-yl)ethyl]piperidin-1-yl}(3-chloro-4-methoxyphenyl)methanone--hydrogen chloride (1/1) |
| Molecular Weight: | 415.4 |
| Molecular Formula: | C21 H31 Cl N2 O2 |
| Salt: | HCl |
| Smiles: | COc1ccc(cc1[Cl])C(N1CCCCC1CCN1CCCCCC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0999 |
| logD: | 2.3386 |
| logSw: | -4.4674 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 28.2054 |
| InChI Key: | VZPYBEVZQAIQDN-GOSISDBHSA-N |