4-[4-(cyclohexanecarbonyl)-3-(hydroxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[4-(cyclohexanecarbonyl)-3-(hydroxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
4-[4-(cyclohexanecarbonyl)-3-(hydroxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S956-0001 |
| Compound Name: | 4-[4-(cyclohexanecarbonyl)-3-(hydroxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 395.42 |
| Molecular Formula: | C20 H24 F3 N3 O2 |
| Smiles: | [H]OCC1CN(CCN1C(C1CCCCC1)=O)c1ccc(C#N)c(c1)C(F)(F)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1065 |
| logD: | 3.1065 |
| logSw: | -3.2151 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.09 |
| InChI Key: | SIZHFMGRQNEDRS-QGZVFWFLSA-N |