{2-[2-(azepan-1-yl)ethyl]piperidin-1-yl}(3,4,5-trimethoxyphenyl)methanone--hydrogen chloride (1/1)
Chemical Structure Depiction of
{2-[2-(azepan-1-yl)ethyl]piperidin-1-yl}(3,4,5-trimethoxyphenyl)methanone--hydrogen chloride (1/1)
{2-[2-(azepan-1-yl)ethyl]piperidin-1-yl}(3,4,5-trimethoxyphenyl)methanone--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D185-0589 |
| Compound Name: | {2-[2-(azepan-1-yl)ethyl]piperidin-1-yl}(3,4,5-trimethoxyphenyl)methanone--hydrogen chloride (1/1) |
| Molecular Weight: | 441.01 |
| Molecular Formula: | C23 H36 N2 O4 |
| Salt: | HCl |
| Smiles: | COc1cc(cc(c1OC)OC)C(N1CCCCC1CCN1CCCCCC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5787 |
| logD: | 1.8174 |
| logSw: | -3.5521 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.553 |
| InChI Key: | HPHIHGMOBLGWIU-LJQANCHMSA-N |