1-{4-[rel-(3R,4R)-1-[(3-fluoropyridin-4-yl)methyl]-4-(phenoxymethyl)pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one
Chemical Structure Depiction of
1-{4-[rel-(3R,4R)-1-[(3-fluoropyridin-4-yl)methyl]-4-(phenoxymethyl)pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one
1-{4-[rel-(3R,4R)-1-[(3-fluoropyridin-4-yl)methyl]-4-(phenoxymethyl)pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | S995-0698 |
| Compound Name: | 1-{4-[rel-(3R,4R)-1-[(3-fluoropyridin-4-yl)methyl]-4-(phenoxymethyl)pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one |
| Molecular Weight: | 411.52 |
| Molecular Formula: | C24 H30 F N3 O2 |
| Smiles: | CC(N1CCC(CC1)[C@@H]1CN(Cc2ccncc2F)C[C@H]1COc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.3811 |
| logD: | 3.2515 |
| logSw: | -3.1335 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.065 |
| InChI Key: | UNONHAZLULSNIQ-GMAHTHKFSA-N |