1-{4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl}-3-methylbutan-1-one
Chemical Structure Depiction of
1-{4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl}-3-methylbutan-1-one
1-{4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl}-3-methylbutan-1-one
Compound characteristics
| Compound ID: | Y207-2252 |
| Compound Name: | 1-{4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl}-3-methylbutan-1-one |
| Molecular Weight: | 312.81 |
| Molecular Formula: | C16 H22 Cl F N2 O |
| Smiles: | CC(C)CC(N1CCN(CC1)Cc1ccc(cc1[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2582 |
| logD: | 3.2543 |
| logSw: | -3.3071 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 20.1713 |
| InChI Key: | QWIULJRKPYKWEE-UHFFFAOYSA-N |