TL;DR: 3-[(2S)-1-(hex-2-yn-1-yl)piperidin-2-yl]pyridine (CAS 1072878-11-5) is a chemical compound with molecular formula C16H22N2 and molecular weight 242.1783 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(2S)-1-hex-2-ynylpiperidin-2-yl]pyridine
Also Known As: 3-((2S)-1-hex-2-ynyl-2-piperidyl)pyridine, 3-[(2S)-1-hex-2-ynylpiperidin-2-yl]pyridine, (S)-3-(1-(hex-2-yn-1-yl)piperidin-2-yl)pyridine, 3-[(2S)-1-(hex-2-yn-1-yl)piperidin-2-yl]pyridine, (2S)-1-(2-HEXYNYL)-2-(3-PYRIDYL)HEXAHYDROPYRIDINE
| Molecular Formula | C16H22N2 |
| Molecular Weight | 242.1783 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 16.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 242.1783 Da |
| Heavy Atoms | 18 |
| Complexity | 299.0 |
| SMILES | CCCC#CCN1CCCC[C@H]1C2=CN=CC=C2 |
| InChIKey | XAKLHBLBUIGDMX-INIZCTEOSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(2S)-1-(hex-2-yn-1-yl)piperidin-2-yl]pyridine. With a topological polar surface area (TPSA) of 16.1 Ų, 3-[(2S)-1-(hex-2-yn-1-yl)piperidin-2-yl]pyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(2S)-1-(hex-2-yn-1-yl)piperidin-2-yl]pyridine has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-[(2S)-1-(hex-2-yn-1-yl)piperidin-2-yl]pyridine is 1072878-11-5.
The molecular formula of 3-[(2S)-1-(hex-2-yn-1-yl)piperidin-2-yl]pyridine is C16H22N2.
The molecular weight of 3-[(2S)-1-(hex-2-yn-1-yl)piperidin-2-yl]pyridine is 242.1783 g/mol.
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