TL;DR: 1,3-Dimethyl-6-(2-methylphenyl)piperidine-3,4-diol (CAS 128887-73-0) is a chemical compound with molecular formula C14H21NO2 and molecular weight 235.15723 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-dimethyl-6-(2-methylphenyl)piperidine-3,4-diol
Also Known As: 1,3-dimethyl-6-(2-methylphenyl)piperidine-3,4-diol, 1-alpha,3-alpha-Dimethyl-6-beta-(2-methylphenyl)-3,4-beta-piperidinediol, 3,4-Piperidinediol, 1,3-dimethyl-6-(2-methylphenyl)-, (1-alpha,3-alpha,4-beta,6-beta)-, BRN 4293723
| Molecular Formula | C14H21NO2 |
| Molecular Weight | 235.15723 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 43.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 235.15723 Da |
| Heavy Atoms | 17 |
| Complexity | 271.0 |
| SMILES | CC1=CC=CC=C1C2CC(C(CN2C)(C)O)O |
| InChIKey | NCLIASQWOHIWQR-UHFFFAOYSA-N |
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dimethyl-6-(2-methylphenyl)piperidine-3,4-diol. With a topological polar surface area (TPSA) of 43.7 Ų, 1,3-Dimethyl-6-(2-methylphenyl)piperidine-3,4-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dimethyl-6-(2-methylphenyl)piperidine-3,4-diol has 2 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 1,3-Dimethyl-6-(2-methylphenyl)piperidine-3,4-diol is 128887-73-0.
The molecular formula of 1,3-Dimethyl-6-(2-methylphenyl)piperidine-3,4-diol is C14H21NO2.
The molecular weight of 1,3-Dimethyl-6-(2-methylphenyl)piperidine-3,4-diol is 235.15723 g/mol.
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