rel-(4aR,8aR)-1-(3-methylbutyl)-4a-(piperidine-1-carbonyl)octahydroquinolin-2(1H)-one
Chemical Structure Depiction of
rel-(4aR,8aR)-1-(3-methylbutyl)-4a-(piperidine-1-carbonyl)octahydroquinolin-2(1H)-one
rel-(4aR,8aR)-1-(3-methylbutyl)-4a-(piperidine-1-carbonyl)octahydroquinolin-2(1H)-one
Compound characteristics
| Compound ID: | T854-0187 |
| Compound Name: | rel-(4aR,8aR)-1-(3-methylbutyl)-4a-(piperidine-1-carbonyl)octahydroquinolin-2(1H)-one |
| Molecular Weight: | 334.5 |
| Molecular Formula: | C20 H34 N2 O2 |
| Smiles: | [H][C@@]12CCCC[C@]1(CCC(N2CCC(C)C)=O)C(N1CCCCC1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.3962 |
| logD: | 3.3962 |
| logSw: | -3.5655 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 33.063 |
| InChI Key: | YFUPZBLPPVGBIM-PXNSSMCTSA-N |