4-({4-[(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]piperidin-1-yl}methyl)benzonitrile
Chemical Structure Depiction of
4-({4-[(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]piperidin-1-yl}methyl)benzonitrile
4-({4-[(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]piperidin-1-yl}methyl)benzonitrile
Compound characteristics
| Compound ID: | S829-2206 |
| Compound Name: | 4-({4-[(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]piperidin-1-yl}methyl)benzonitrile |
| Molecular Weight: | 335.4 |
| Molecular Formula: | C18 H23 F2 N3 O |
| Smiles: | C1CN(CCC1N1CC(C[C@H]1CO)(F)F)Cc1ccc(C#N)cc1 |
| Stereo: | ABSOLUTE |
| logP: | 2.1909 |
| logD: | 1.7988 |
| logSw: | -2.0876 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.181 |
| InChI Key: | GVUZQIHHEQBKFR-QGZVFWFLSA-N |