4-[3-(hydroxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[3-(hydroxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
4-[3-(hydroxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S956-0084 |
| Compound Name: | 4-[3-(hydroxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 321.73 |
| Molecular Formula: | C13 H14 F3 N3 O |
| Salt: | HCl |
| Smiles: | [H]N1CCN(CC1CO[H])c1ccc(C#N)c(c1)C(F)(F)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.8805 |
| logD: | -0.172 |
| logSw: | -1.9859 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.014 |
| InChI Key: | VXCAXMYIZBPAAR-SNVBAGLBSA-N |