TL;DR: 4-Ethyl-1,3-dimethyl-6-(2-methylphenyl)piperidine-3,4-diol (CAS 128887-79-6) is a chemical compound with molecular formula C16H25NO2 and molecular weight 263.18854 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-ethyl-1,3-dimethyl-6-(2-methylphenyl)piperidine-3,4-diol
Also Known As: 4-ethyl-1,3-dimethyl-6-(2-methylphenyl)piperidine-3,4-diol, 4-[3-(trifluoromethyl)diazirin-3-yl]benzaldehyde, 3,4-Piperidinediol, 1,3-dimethyl-4-ethyl-6-(2-methylphenyl)-, (1-alpha,3-alpha,4-beta,6-beta)-, BRN 4294935
| Molecular Formula | C16H25NO2 |
| Molecular Weight | 263.18854 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 43.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 263.18854 Da |
| Heavy Atoms | 19 |
| Complexity | 322.0 |
| SMILES | CCC1(CC(N(CC1(C)O)C)C2=CC=CC=C2C)O |
| InChIKey | MGEALIGZMGRKRD-UHFFFAOYSA-N |
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Ethyl-1,3-dimethyl-6-(2-methylphenyl)piperidine-3,4-diol. With a topological polar surface area (TPSA) of 43.7 Ų, 4-Ethyl-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, 4-Ethyl-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 4-Ethyl-1,3-dimethyl-6-(2-methylphenyl)piperidine-3,4-diol is 128887-79-6.
The molecular formula of 4-Ethyl-1,3-dimethyl-6-(2-methylphenyl)piperidine-3,4-diol is C16H25NO2.
The molecular weight of 4-Ethyl-1,3-dimethyl-6-(2-methylphenyl)piperidine-3,4-diol is 263.18854 g/mol.
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