1-[rel-(3R,4R)-3-(1-acetylpiperidin-4-yl)-4-(phenoxymethyl)pyrrolidin-1-yl]-2-ethylbutan-1-one
Chemical Structure Depiction of
1-[rel-(3R,4R)-3-(1-acetylpiperidin-4-yl)-4-(phenoxymethyl)pyrrolidin-1-yl]-2-ethylbutan-1-one
1-[rel-(3R,4R)-3-(1-acetylpiperidin-4-yl)-4-(phenoxymethyl)pyrrolidin-1-yl]-2-ethylbutan-1-one
Compound characteristics
| Compound ID: | S995-1025 |
| Compound Name: | 1-[rel-(3R,4R)-3-(1-acetylpiperidin-4-yl)-4-(phenoxymethyl)pyrrolidin-1-yl]-2-ethylbutan-1-one |
| Molecular Weight: | 400.56 |
| Molecular Formula: | C24 H36 N2 O3 |
| Smiles: | CCC(CC)C(N1C[C@@H](COc2ccccc2)[C@@H](C1)C1CCN(CC1)C(C)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.1174 |
| logD: | 4.1174 |
| logSw: | -3.9754 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.735 |
| InChI Key: | IJCHWCFPSFTDEK-GMAHTHKFSA-N |