1-{4-[rel-(3R,4R)-1-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(hydroxymethyl)pyrrolidin-3-yl]piperidin-1-yl}-2-methylpropan-1-one
Chemical Structure Depiction of
1-{4-[rel-(3R,4R)-1-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(hydroxymethyl)pyrrolidin-3-yl]piperidin-1-yl}-2-methylpropan-1-one
1-{4-[rel-(3R,4R)-1-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(hydroxymethyl)pyrrolidin-3-yl]piperidin-1-yl}-2-methylpropan-1-one
Compound characteristics
| Compound ID: | S995-0881 |
| Compound Name: | 1-{4-[rel-(3R,4R)-1-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(hydroxymethyl)pyrrolidin-3-yl]piperidin-1-yl}-2-methylpropan-1-one |
| Molecular Weight: | 418.58 |
| Molecular Formula: | C24 H38 N2 O4 |
| Smiles: | CCOc1ccc(CN2C[C@@H](CO)[C@@H](C2)C2CCN(CC2)C(C(C)C)=O)cc1OC |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.4474 |
| logD: | -0.2199 |
| logSw: | -2.5679 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.808 |
| InChI Key: | YIIZVQAHDLQBSW-NHCUHLMSSA-N |