TL;DR: 2-[4-[4-(Methylsulfonyl)phenyl]piperazin-1-yl]ethanol (CAS 166438-70-6) is a chemical compound with molecular formula C13H20N2O3S and molecular weight 284.11948 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4-(4-methylsulfonylphenyl)piperazin-1-yl]ethanol
Also Known As: 2-[4-[4-(Methylsulfonyl)phenyl]piperazin-1-yl]ethanol, 2-[4-(4-methylsulfonylphenyl)piperazin-1-yl]ethanol, 1-(2-hydroxyethyl)-4-[4-(methylsulphonyl)phenyl]piperazine, 2-[4-(4-methanesulfonylphenyl)piperazin-1-yl]ethanol, 2-[4-[4-(methylsulfonyl)phenyl]piperazin-1-yl]-ethanol
| Molecular Formula | C13H20N2O3S |
| Molecular Weight | 284.11948 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 69.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 284.11948 Da |
| Heavy Atoms | 19 |
| Complexity | 364.0 |
| SMILES | CS(=O)(=O)C1=CC=C(C=C1)N2CCN(CC2)CCO |
| InChIKey | HQJJGFBIJDCRKR-UHFFFAOYSA-N |
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[4-[4-(Methylsulfonyl)phenyl]piperazin-1-yl]ethanol. The TPSA of 69.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[4-[4-(Methylsulfonyl)phenyl]piperazin-1-yl]ethanol. Following Lipinski's Rule of Five, 2-[4-[4-(Methylsulfonyl)phenyl]piperazin-1-yl]ethanol has 1 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 2-[4-[4-(Methylsulfonyl)phenyl]piperazin-1-yl]ethanol is 166438-70-6.
The molecular formula of 2-[4-[4-(Methylsulfonyl)phenyl]piperazin-1-yl]ethanol is C13H20N2O3S.
The molecular weight of 2-[4-[4-(Methylsulfonyl)phenyl]piperazin-1-yl]ethanol is 284.11948 g/mol.
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