1-{2-[2-(azepan-1-yl)ethyl]piperidin-1-yl}-2-(4-chlorophenoxy)ethan-1-one--hydrogen chloride (1/1)
Chemical Structure Depiction of
1-{2-[2-(azepan-1-yl)ethyl]piperidin-1-yl}-2-(4-chlorophenoxy)ethan-1-one--hydrogen chloride (1/1)
1-{2-[2-(azepan-1-yl)ethyl]piperidin-1-yl}-2-(4-chlorophenoxy)ethan-1-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D185-0566 |
| Compound Name: | 1-{2-[2-(azepan-1-yl)ethyl]piperidin-1-yl}-2-(4-chlorophenoxy)ethan-1-one--hydrogen chloride (1/1) |
| Molecular Weight: | 415.4 |
| Molecular Formula: | C21 H31 Cl N2 O2 |
| Salt: | HCl |
| Smiles: | C1CCCN(CC1)CCC1CCCCN1C(COc1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2289 |
| logD: | 2.4105 |
| logSw: | -4.4159 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 27.5467 |
| InChI Key: | NDSJXWUBLIUBQC-LJQANCHMSA-N |