3-{1-[3-(2,6,6-trimethyloxan-2-yl)prop-2-yn-1-yl]piperidin-3-yl}pyridine
Chemical Structure Depiction of
3-{1-[3-(2,6,6-trimethyloxan-2-yl)prop-2-yn-1-yl]piperidin-3-yl}pyridine
3-{1-[3-(2,6,6-trimethyloxan-2-yl)prop-2-yn-1-yl]piperidin-3-yl}pyridine
Compound characteristics
| Compound ID: | 8013-4418 |
| Compound Name: | 3-{1-[3-(2,6,6-trimethyloxan-2-yl)prop-2-yn-1-yl]piperidin-3-yl}pyridine |
| Molecular Weight: | 326.48 |
| Molecular Formula: | C21 H30 N2 O |
| Smiles: | CC1(C)CCCC(C)(C#CCN2CCCC(C2)c2cccnc2)O1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.5838 |
| logD: | 3.5089 |
| logSw: | -3.4088 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 19.1756 |
| InChI Key: | NUNVPUXDSPVZBU-UHFFFAOYSA-N |