4-{4-[(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]piperidine-1-carbonyl}benzonitrile
Chemical Structure Depiction of
4-{4-[(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]piperidine-1-carbonyl}benzonitrile
4-{4-[(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]piperidine-1-carbonyl}benzonitrile
Compound characteristics
| Compound ID: | S829-2414 |
| Compound Name: | 4-{4-[(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]piperidine-1-carbonyl}benzonitrile |
| Molecular Weight: | 349.38 |
| Molecular Formula: | C18 H21 F2 N3 O2 |
| Smiles: | C1CN(CCC1N1CC(C[C@H]1CO)(F)F)C(c1ccc(C#N)cc1)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.5939 |
| logD: | 1.5007 |
| logSw: | -1.8304 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.097 |
| InChI Key: | OQOFZGZUPHNLSU-INIZCTEOSA-N |