4-[2-(hydroxymethyl)-4-(6-methylpyridine-3-carbonyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[2-(hydroxymethyl)-4-(6-methylpyridine-3-carbonyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
4-[2-(hydroxymethyl)-4-(6-methylpyridine-3-carbonyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S956-5051 |
| Compound Name: | 4-[2-(hydroxymethyl)-4-(6-methylpyridine-3-carbonyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 404.39 |
| Molecular Formula: | C20 H19 F3 N4 O2 |
| Smiles: | [H]OCC1CN(CCN1c1ccc(C#N)c(c1)C(F)(F)F)C(c1ccc(C)nc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8681 |
| logD: | 1.8678 |
| logSw: | -2.3897 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.842 |
| InChI Key: | IZWAPMIDQHEFBP-QGZVFWFLSA-N |