TL;DR: 3-[4-(2-Methoxyphenyl)piperazin-1-yl]propane-1,2-diol (CAS 117067-06-8) is a chemical compound with molecular formula C14H22N2O3 and molecular weight 266.16306 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[4-(2-methoxyphenyl)piperazin-1-yl]propane-1,2-diol
Also Known As: 3-[4-(2-methoxyphenyl)piperazin-1-yl]propane-1,2-diol, N-<1>Decahydrochinolylmethyl-succinimid, 3-[4-(2-Methoxyphenyl)piperazino]propylene glycol, 1,2-Propanediol, 3-[4-(2-methoxyphenyl)-1-piperazinyl]-, 3-(4-(2-Methoxyphenyl)piperazin-1-yl)propane-1,2-diol
| Molecular Formula | C14H22N2O3 |
| Molecular Weight | 266.16306 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 56.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 266.16306 Da |
| Heavy Atoms | 19 |
| Complexity | 257.0 |
| SMILES | COC1=CC=CC=C1N2CCN(CC2)CC(CO)O |
| InChIKey | IKIRAVZPWOOMIS-UHFFFAOYSA-N |
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[4-(2-Methoxyphenyl)piperazin-1-yl]propane-1,2-diol. With a topological polar surface area (TPSA) of 56.2 Ų, 3-[4-(2-Methoxyphenyl)piperazin-1-yl]propane-1,2-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[4-(2-Methoxyphenyl)piperazin-1-yl]propane-1,2-diol has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-[4-(2-Methoxyphenyl)piperazin-1-yl]propane-1,2-diol is 117067-06-8.
The molecular formula of 3-[4-(2-Methoxyphenyl)piperazin-1-yl]propane-1,2-diol is C14H22N2O3.
The molecular weight of 3-[4-(2-Methoxyphenyl)piperazin-1-yl]propane-1,2-diol is 266.16306 g/mol.
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