diethyl (hydroxymethyl){4-[2-(pyridin-3-yl)piperidin-1-yl]but-2-yn-1-yl}propanedioate
Chemical Structure Depiction of
diethyl (hydroxymethyl){4-[2-(pyridin-3-yl)piperidin-1-yl]but-2-yn-1-yl}propanedioate
diethyl (hydroxymethyl){4-[2-(pyridin-3-yl)piperidin-1-yl]but-2-yn-1-yl}propanedioate
Compound characteristics
| Compound ID: | 8018-1819 |
| Compound Name: | diethyl (hydroxymethyl){4-[2-(pyridin-3-yl)piperidin-1-yl]but-2-yn-1-yl}propanedioate |
| Molecular Weight: | 402.49 |
| Molecular Formula: | C22 H30 N2 O5 |
| Smiles: | CCOC(C(CC#CCN1CCCCC1c1cccnc1)(CO)C(=O)OCC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4123 |
| logD: | 2.4046 |
| logSw: | -1.8525 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.949 |
| InChI Key: | YRLZARYOUVERIR-IBGZPJMESA-N |