4-[4-(cyclopentylacetyl)-2-(hydroxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[4-(cyclopentylacetyl)-2-(hydroxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
4-[4-(cyclopentylacetyl)-2-(hydroxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
Compound ID: | S956-5076 |
Compound Name: | 4-[4-(cyclopentylacetyl)-2-(hydroxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile |
Molecular Weight: | 395.42 |
Molecular Formula: | C20 H24 F3 N3 O2 |
Smiles: | [H]OCC1CN(CCN1c1ccc(C#N)c(c1)C(F)(F)F)C(CC1CCCC1)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 2.903 |
logD: | 2.903 |
logSw: | -3.2231 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 53.929 |
InChI Key: | ZDHXIZDEGJSFRW-QGZVFWFLSA-N |