[rel-(3aR,7aR)-2-benzyl-7a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](cyclopentyl)methanone
Chemical Structure Depiction of
[rel-(3aR,7aR)-2-benzyl-7a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](cyclopentyl)methanone
[rel-(3aR,7aR)-2-benzyl-7a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](cyclopentyl)methanone
Compound characteristics
| Compound ID: | S997-0542 |
| Compound Name: | [rel-(3aR,7aR)-2-benzyl-7a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](cyclopentyl)methanone |
| Molecular Weight: | 342.48 |
| Molecular Formula: | C21 H30 N2 O2 |
| Smiles: | C1CCC(C1)C(N1CC[C@]2(CN(Cc3ccccc3)C[C@H]2C1)CO)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.4737 |
| logD: | -1.1969 |
| logSw: | -2.2255 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.187 |
| InChI Key: | VZPREBGFWPWWBQ-TZIWHRDSSA-N |