1-[rel-(3R,4R)-3-{1-[(3,4-difluorophenyl)methyl]piperidin-4-yl}-4-(phenoxymethyl)pyrrolidin-1-yl]ethan-1-one
Chemical Structure Depiction of
1-[rel-(3R,4R)-3-{1-[(3,4-difluorophenyl)methyl]piperidin-4-yl}-4-(phenoxymethyl)pyrrolidin-1-yl]ethan-1-one
1-[rel-(3R,4R)-3-{1-[(3,4-difluorophenyl)methyl]piperidin-4-yl}-4-(phenoxymethyl)pyrrolidin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | S995-0018 |
| Compound Name: | 1-[rel-(3R,4R)-3-{1-[(3,4-difluorophenyl)methyl]piperidin-4-yl}-4-(phenoxymethyl)pyrrolidin-1-yl]ethan-1-one |
| Molecular Weight: | 428.52 |
| Molecular Formula: | C25 H30 F2 N2 O2 |
| Smiles: | CC(N1C[C@@H](COc2ccccc2)[C@@H](C1)C1CCN(CC1)Cc1ccc(c(c1)F)F)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.2687 |
| logD: | 4.0177 |
| logSw: | -4.1902 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 28.5476 |
| InChI Key: | VWIYIKVXKAODKT-FYYLOGMGSA-N |