1-{4-[rel-(3R,4R)-1-[(4-methoxy-3-methylphenyl)methyl]-4-(phenoxymethyl)pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one
Chemical Structure Depiction of
1-{4-[rel-(3R,4R)-1-[(4-methoxy-3-methylphenyl)methyl]-4-(phenoxymethyl)pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one
1-{4-[rel-(3R,4R)-1-[(4-methoxy-3-methylphenyl)methyl]-4-(phenoxymethyl)pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | S995-1019 |
| Compound Name: | 1-{4-[rel-(3R,4R)-1-[(4-methoxy-3-methylphenyl)methyl]-4-(phenoxymethyl)pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one |
| Molecular Weight: | 436.59 |
| Molecular Formula: | C27 H36 N2 O3 |
| Smiles: | CC(N1CCC(CC1)[C@@H]1CN(Cc2ccc(c(C)c2)OC)C[C@H]1COc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.5438 |
| logD: | 3.4644 |
| logSw: | -4.3849 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.178 |
| InChI Key: | XAYKQWWLXKDSFU-AOYPEHQESA-N |