3-{1-[3-(2,6,6-trimethyloxan-2-yl)prop-2-yn-1-yl]piperidin-2-yl}pyridine--hydrogen chloride (1/1)
Chemical Structure Depiction of
3-{1-[3-(2,6,6-trimethyloxan-2-yl)prop-2-yn-1-yl]piperidin-2-yl}pyridine--hydrogen chloride (1/1)
3-{1-[3-(2,6,6-trimethyloxan-2-yl)prop-2-yn-1-yl]piperidin-2-yl}pyridine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8018-0870 |
| Compound Name: | 3-{1-[3-(2,6,6-trimethyloxan-2-yl)prop-2-yn-1-yl]piperidin-2-yl}pyridine--hydrogen chloride (1/1) |
| Molecular Weight: | 362.94 |
| Molecular Formula: | C21 H30 N2 O |
| Salt: | HCl |
| Smiles: | CC1(C)CCCC(C)(C#CCN2CCCCC2c2cccnc2)O1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6693 |
| logD: | 3.6606 |
| logSw: | -3.5868 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 19.1018 |
| InChI Key: | MGHSLDDBTFCNLI-UHFFFAOYSA-N |