1-{4-[rel-(3R,4R)-1-acetyl-4-(phenoxymethyl)pyrrolidin-3-yl]piperidin-1-yl}-2-methoxyethan-1-one
Chemical Structure Depiction of
1-{4-[rel-(3R,4R)-1-acetyl-4-(phenoxymethyl)pyrrolidin-3-yl]piperidin-1-yl}-2-methoxyethan-1-one
1-{4-[rel-(3R,4R)-1-acetyl-4-(phenoxymethyl)pyrrolidin-3-yl]piperidin-1-yl}-2-methoxyethan-1-one
Compound characteristics
| Compound ID: | S995-0003 |
| Compound Name: | 1-{4-[rel-(3R,4R)-1-acetyl-4-(phenoxymethyl)pyrrolidin-3-yl]piperidin-1-yl}-2-methoxyethan-1-one |
| Molecular Weight: | 374.48 |
| Molecular Formula: | C21 H30 N2 O4 |
| Smiles: | CC(N1C[C@@H](COc2ccccc2)[C@@H](C1)C1CCN(CC1)C(COC)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.6116 |
| logD: | 1.6116 |
| logSw: | -1.7121 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.631 |
| InChI Key: | FIWXERSPQRGXHE-UYAOXDASSA-N |