1-[rel-(3aR,7aS)-5-cyclopentyl-7a-(hydroxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2,2-dimethylpropan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aS)-5-cyclopentyl-7a-(hydroxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2,2-dimethylpropan-1-one
1-[rel-(3aR,7aS)-5-cyclopentyl-7a-(hydroxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2,2-dimethylpropan-1-one
Compound characteristics
| Compound ID: | CM2432-1863 |
| Compound Name: | 1-[rel-(3aR,7aS)-5-cyclopentyl-7a-(hydroxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2,2-dimethylpropan-1-one |
| Molecular Weight: | 308.46 |
| Molecular Formula: | C18 H32 N2 O2 |
| Smiles: | CC(C)(C)C(N1C[C@@H]2CN(CC[C@@]2(C1)CO)C1CCCC1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.1403 |
| logD: | -0.8348 |
| logSw: | -1.9024 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.82 |
| InChI Key: | NIGKYFWFJQYENE-RDTXWAMCSA-N |