TL;DR: 3,4-Piperidinediol, 1,3-dimethyl-6-(4-methylphenyl)-, hydrochloride, (3-alpha,4-beta,6-beta)- (CAS 102071-19-2) is a chemical compound with molecular formula C14H22ClNO2 and molecular weight 271.1339 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S,4S,6S)-1,3-dimethyl-6-(4-methylphenyl)piperidine-3,4-diol;hydrochloride
Also Known As: 3,4-Piperidinediol, 1,3-dimethyl-6-(4-methylphenyl)-, hydrochloride, (3-alpha,4-beta,6-beta)-, 1,3-Dimethyl-6-beta-(4-methylphenyl)-3-alpha,4-beta-piperidinediol hydrochloride, (3S,4S,6S)-1,3-dimethyl-6-(4-methylphenyl)piperidine-3,4-diol hydrochloride, (3S,4S,6S)-1,3-Dimethyl-6-(4-methylphenyl)piperidine-3,4-diol--hydrogen chloride (1/1)
| Molecular Formula | C14H22ClNO2 |
| Molecular Weight | 271.1339 g/mol |
| XLogP | 1.90532 |
| Topological Polar Surface Area (TPSA) | 43.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 271.1339 Da |
| Heavy Atoms | 18 |
| Complexity | 263.0 |
| SMILES | CC1=CC=C(C=C1)[C@@H]2C[C@@H]([C@@](CN2C)(C)O)O.Cl |
| InChIKey | UZVACBWBYYWNQT-JKBZPBJLSA-N |
The XLogP value of 1.90532 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Piperidinediol, 1,3-dimethyl-6-(4-methylphenyl)-, hydrochloride, (3-alpha,4-beta,6-beta)-. With a topological polar surface area (TPSA) of 43.7 Ų, 3,4-Piperidinediol, 1,3-dimethyl-6-(4-methylphenyl)-, hydrochloride, (3-alpha,4-beta,6-beta)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Piperidinediol, 1,3-dimethyl-6-(4-methylphenyl)-, hydrochloride, (3-alpha,4-beta,6-beta)- has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3,4-Piperidinediol, 1,3-dimethyl-6-(4-methylphenyl)-, hydrochloride, (3-alpha,4-beta,6-beta)- is 102071-19-2.
The molecular formula of 3,4-Piperidinediol, 1,3-dimethyl-6-(4-methylphenyl)-, hydrochloride, (3-alpha,4-beta,6-beta)- is C14H22ClNO2.
The molecular weight of 3,4-Piperidinediol, 1,3-dimethyl-6-(4-methylphenyl)-, hydrochloride, (3-alpha,4-beta,6-beta)- is 271.1339 g/mol.
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