N-{[rel-(3R,4S)-1-[(4-chloro-2-fluorophenyl)methyl]-3-(dimethylamino)piperidin-4-yl]methyl}acetamide
Chemical Structure Depiction of
N-{[rel-(3R,4S)-1-[(4-chloro-2-fluorophenyl)methyl]-3-(dimethylamino)piperidin-4-yl]methyl}acetamide
N-{[rel-(3R,4S)-1-[(4-chloro-2-fluorophenyl)methyl]-3-(dimethylamino)piperidin-4-yl]methyl}acetamide
Compound characteristics
| Compound ID: | S618-0642 |
| Compound Name: | N-{[rel-(3R,4S)-1-[(4-chloro-2-fluorophenyl)methyl]-3-(dimethylamino)piperidin-4-yl]methyl}acetamide |
| Molecular Weight: | 341.85 |
| Molecular Formula: | C17 H25 Cl F N3 O |
| Smiles: | CC(NC[C@H]1CCN(Cc2ccc(cc2F)[Cl])C[C@H]1N(C)C)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.8816 |
| logD: | 0.2479 |
| logSw: | -2.9537 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 30.3995 |
| InChI Key: | BYQOVRLWJCGWMB-DYVFJYSZSA-N |