1-{4-[rel-(3R,4R)-1-[(2,3-dihydro-1-benzofuran-5-yl)methyl]-4-(hydroxymethyl)pyrrolidin-3-yl]piperidin-1-yl}-2-methylpropan-1-one
Chemical Structure Depiction of
1-{4-[rel-(3R,4R)-1-[(2,3-dihydro-1-benzofuran-5-yl)methyl]-4-(hydroxymethyl)pyrrolidin-3-yl]piperidin-1-yl}-2-methylpropan-1-one
1-{4-[rel-(3R,4R)-1-[(2,3-dihydro-1-benzofuran-5-yl)methyl]-4-(hydroxymethyl)pyrrolidin-3-yl]piperidin-1-yl}-2-methylpropan-1-one
Compound characteristics
| Compound ID: | S995-0925 |
| Compound Name: | 1-{4-[rel-(3R,4R)-1-[(2,3-dihydro-1-benzofuran-5-yl)methyl]-4-(hydroxymethyl)pyrrolidin-3-yl]piperidin-1-yl}-2-methylpropan-1-one |
| Molecular Weight: | 386.53 |
| Molecular Formula: | C23 H34 N2 O3 |
| Smiles: | CC(C)C(N1CCC(CC1)[C@@H]1CN(Cc2ccc3c(CCO3)c2)C[C@H]1CO)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.5272 |
| logD: | 0.2771 |
| logSw: | -2.6356 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.205 |
| InChI Key: | PVEQVLAXZCGYGV-NHCUHLMSSA-N |