1-[rel-(3aR,7aS)-5-cyclopentyl-7a-(hydroxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-3,3,3-trifluoropropan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aS)-5-cyclopentyl-7a-(hydroxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-3,3,3-trifluoropropan-1-one
1-[rel-(3aR,7aS)-5-cyclopentyl-7a-(hydroxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-3,3,3-trifluoropropan-1-one
Compound characteristics
| Compound ID: | CM2432-2210 |
| Compound Name: | 1-[rel-(3aR,7aS)-5-cyclopentyl-7a-(hydroxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-3,3,3-trifluoropropan-1-one |
| Molecular Weight: | 334.38 |
| Molecular Formula: | C16 H25 F3 N2 O2 |
| Smiles: | C1CCC(C1)N1CC[C@@]2(CN(C[C@@H]2C1)C(CC(F)(F)F)=O)CO |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.6076 |
| logD: | -1.3675 |
| logSw: | -1.4727 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.292 |
| InChI Key: | WHSZCUXENXGWJH-SWLSCSKDSA-N |