1-{4-[(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]piperidin-1-yl}-2-(2-methylphenyl)ethan-1-one
Chemical Structure Depiction of
1-{4-[(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]piperidin-1-yl}-2-(2-methylphenyl)ethan-1-one
1-{4-[(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]piperidin-1-yl}-2-(2-methylphenyl)ethan-1-one
Compound characteristics
| Compound ID: | S829-2080 |
| Compound Name: | 1-{4-[(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]piperidin-1-yl}-2-(2-methylphenyl)ethan-1-one |
| Molecular Weight: | 352.42 |
| Molecular Formula: | C19 H26 F2 N2 O2 |
| Smiles: | Cc1ccccc1CC(N1CCC(CC1)N1CC(C[C@H]1CO)(F)F)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.9757 |
| logD: | 2.8574 |
| logSw: | -2.7863 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.514 |
| InChI Key: | JLQVHVNSKDQSRI-QGZVFWFLSA-N |