2-chloro-1-{4-[(3,4-dimethylphenyl)methyl]piperazin-1-yl}ethan-1-one
Chemical Structure Depiction of
2-chloro-1-{4-[(3,4-dimethylphenyl)methyl]piperazin-1-yl}ethan-1-one
2-chloro-1-{4-[(3,4-dimethylphenyl)methyl]piperazin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | T001-1615 |
| Compound Name: | 2-chloro-1-{4-[(3,4-dimethylphenyl)methyl]piperazin-1-yl}ethan-1-one |
| Molecular Weight: | 280.8 |
| Molecular Formula: | C15 H21 Cl N2 O |
| Smiles: | Cc1ccc(CN2CCN(CC2)C(C[Cl])=O)cc1C |
| Stereo: | ACHIRAL |
| logP: | 2.2293 |
| logD: | 2.1888 |
| logSw: | -2.5387 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 20.1713 |
| InChI Key: | COTISZCWRCPAAC-UHFFFAOYSA-N |