1-[rel-(3aR,7aR)-3a-(hydroxymethyl)-2-(3-phenylpropyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aR)-3a-(hydroxymethyl)-2-(3-phenylpropyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
1-[rel-(3aR,7aR)-3a-(hydroxymethyl)-2-(3-phenylpropyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
Compound characteristics
| Compound ID: | S996-0971 |
| Compound Name: | 1-[rel-(3aR,7aR)-3a-(hydroxymethyl)-2-(3-phenylpropyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one |
| Molecular Weight: | 316.44 |
| Molecular Formula: | C19 H28 N2 O2 |
| Smiles: | CC(N1CC[C@@H]2CN(CCCc3ccccc3)C[C@@]2(C1)CO)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.8537 |
| logD: | -2.5199 |
| logSw: | -1.7269 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.347 |
| InChI Key: | KYVVAIRVNUZPLK-MOPGFXCFSA-N |