TL;DR: 3-(1-Methyl-4-piperidinyl)phenol hydrochloride (CAS 105788-12-3) is a chemical compound with molecular formula C12H18ClNO and molecular weight 227.1077 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(1-methylpiperidin-4-yl)phenol;hydrochloride
Also Known As: NIOSH/SM1154500, 3-(1-methylpiperidin-4-yl)phenol hydrochloride, 3-(1-Methyl-4-piperidinyl)phenol hydrochloride, Phenol, 3-(1-methyl-4-piperidinyl)-, hydrochloride
| Molecular Formula | C12H18ClNO |
| Molecular Weight | 227.1077 g/mol |
| XLogP | 2.6232 |
| Topological Polar Surface Area (TPSA) | 23.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 227.1077 Da |
| Heavy Atoms | 15 |
| Complexity | 175.0 |
| SMILES | CN1CCC(CC1)C2=CC(=CC=C2)O.Cl |
| InChIKey | BKWSDVYMIKFHTI-UHFFFAOYSA-N |
The XLogP value of 2.6232 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1-Methyl-4-piperidinyl)phenol hydrochloride. With a topological polar surface area (TPSA) of 23.5 Ų, 3-(1-Methyl-4-piperidinyl)phenol hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1-Methyl-4-piperidinyl)phenol hydrochloride has 2 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-(1-Methyl-4-piperidinyl)phenol hydrochloride is 105788-12-3.
The molecular formula of 3-(1-Methyl-4-piperidinyl)phenol hydrochloride is C12H18ClNO.
The molecular weight of 3-(1-Methyl-4-piperidinyl)phenol hydrochloride is 227.1077 g/mol.
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