1-{4-[rel-(3R,4R)-4-(phenoxymethyl)-1-(3-phenylpropyl)pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one
Chemical Structure Depiction of
1-{4-[rel-(3R,4R)-4-(phenoxymethyl)-1-(3-phenylpropyl)pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one
1-{4-[rel-(3R,4R)-4-(phenoxymethyl)-1-(3-phenylpropyl)pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | S995-1049 |
| Compound Name: | 1-{4-[rel-(3R,4R)-4-(phenoxymethyl)-1-(3-phenylpropyl)pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one |
| Molecular Weight: | 420.6 |
| Molecular Formula: | C27 H36 N2 O2 |
| Smiles: | CC(N1CCC(CC1)[C@@H]1CN(CCCc2ccccc2)C[C@H]1COc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.9128 |
| logD: | 3.2097 |
| logSw: | -4.5225 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 28.526 |
| InChI Key: | VBMCOIZHSDYORS-XNMGPUDCSA-N |