1-{4-[rel-(3R,4R)-4-(hydroxymethyl)-1-(phenoxyacetyl)pyrrolidin-3-yl]piperidin-1-yl}-2-methylpropan-1-one
Chemical Structure Depiction of
1-{4-[rel-(3R,4R)-4-(hydroxymethyl)-1-(phenoxyacetyl)pyrrolidin-3-yl]piperidin-1-yl}-2-methylpropan-1-one
1-{4-[rel-(3R,4R)-4-(hydroxymethyl)-1-(phenoxyacetyl)pyrrolidin-3-yl]piperidin-1-yl}-2-methylpropan-1-one
Compound characteristics
| Compound ID: | S995-0930 |
| Compound Name: | 1-{4-[rel-(3R,4R)-4-(hydroxymethyl)-1-(phenoxyacetyl)pyrrolidin-3-yl]piperidin-1-yl}-2-methylpropan-1-one |
| Molecular Weight: | 388.51 |
| Molecular Formula: | C22 H32 N2 O4 |
| Smiles: | CC(C)C(N1CCC(CC1)[C@@H]1CN(C[C@H]1CO)C(COc1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.7743 |
| logD: | 1.7743 |
| logSw: | -1.8814 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.855 |
| InChI Key: | UCUGJHBXIPAGOK-UYAOXDASSA-N |