TL;DR: 3-[(2S)-1-(3-phenylprop-2-yn-1-yl)piperidin-2-yl]pyridine (CAS 1072878-27-3) is a chemical compound with molecular formula C19H20N2 and molecular weight 276.16266 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(2S)-1-(3-phenylprop-2-ynyl)piperidin-2-yl]pyridine
Also Known As: 3-[(2S)-1-(3-phenylprop-2-ynyl)-2-piperidyl]pyridine, 3-[(2S)-1-(3-phenylprop-2-ynyl)piperidin-2-yl]pyridine, (S)-3-(1-(3-phenylprop-2-yn-1-yl)piperidin-2-yl)pyridine, 3-[(2S)-1-(3-phenylprop-2-yn-1-yl)piperidin-2-yl]pyridine, (2S)-1-(3-PHENYL-2-PROPYNYL)-2-(3-PYRIDYL)HEXAHYDROPYRIDINE
| Molecular Formula | C19H20N2 |
| Molecular Weight | 276.16266 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 16.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 276.16266 Da |
| Heavy Atoms | 21 |
| Complexity | 372.0 |
| SMILES | C1CCN([C@@H](C1)C2=CN=CC=C2)CC#CC3=CC=CC=C3 |
| InChIKey | VXZCEWJRUHZDHY-IBGZPJMESA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(2S)-1-(3-phenylprop-2-yn-1-yl)piperidin-2-yl]pyridine. With a topological polar surface area (TPSA) of 16.1 Ų, 3-[(2S)-1-(3-phenylprop-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-(3-phenylprop-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-(3-phenylprop-2-yn-1-yl)piperidin-2-yl]pyridine is 1072878-27-3.
The molecular formula of 3-[(2S)-1-(3-phenylprop-2-yn-1-yl)piperidin-2-yl]pyridine is C19H20N2.
The molecular weight of 3-[(2S)-1-(3-phenylprop-2-yn-1-yl)piperidin-2-yl]pyridine is 276.16266 g/mol.
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