1-{4-[rel-(3R,4R)-1-[(4-fluoro-3-methoxyphenyl)methyl]-4-(hydroxymethyl)pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one
Chemical Structure Depiction of
1-{4-[rel-(3R,4R)-1-[(4-fluoro-3-methoxyphenyl)methyl]-4-(hydroxymethyl)pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one
1-{4-[rel-(3R,4R)-1-[(4-fluoro-3-methoxyphenyl)methyl]-4-(hydroxymethyl)pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | S632-2488 |
| Compound Name: | 1-{4-[rel-(3R,4R)-1-[(4-fluoro-3-methoxyphenyl)methyl]-4-(hydroxymethyl)pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one |
| Molecular Weight: | 364.46 |
| Molecular Formula: | C20 H29 F N2 O3 |
| Smiles: | CC(N1CCC(CC1)[C@@H]1CN(Cc2ccc(c(c2)OC)F)C[C@H]1CO)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.7826 |
| logD: | -0.7487 |
| logSw: | -2.2159 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.066 |
| InChI Key: | KZHBZEQUVFBKJY-ROUUACIJSA-N |