TL;DR: 1-(4-(4-(2-Hydroxyethyl)piperazin-1-yl)phenyl)ethanone (CAS 166438-77-3) is a chemical compound with molecular formula C14H20N2O2 and molecular weight 248.15248 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]ethanone
Also Known As: 1-(4-(4-(2-Hydroxyethyl)piperazin-1-yl)phenyl)ethanone, 1-[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]ethanone, 8471AA, 1-{4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl}ethan-1-one, 4-(4-(2-Hydroxyethyl)piperazinol)acetophenone
| Molecular Formula | C14H20N2O2 |
| Molecular Weight | 248.15248 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 43.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 248.15248 Da |
| Heavy Atoms | 18 |
| Complexity | 267.0 |
| SMILES | CC(=O)C1=CC=C(C=C1)N2CCN(CC2)CCO |
| InChIKey | UZXCEAOMMJWGQZ-UHFFFAOYSA-N |
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-(4-(2-Hydroxyethyl)piperazin-1-yl)phenyl)ethanone. With a topological polar surface area (TPSA) of 43.8 Ų, 1-(4-(4-(2-Hydroxyethyl)piperazin-1-yl)phenyl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-(4-(2-Hydroxyethyl)piperazin-1-yl)phenyl)ethanone has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-(4-(4-(2-Hydroxyethyl)piperazin-1-yl)phenyl)ethanone is 166438-77-3.
The molecular formula of 1-(4-(4-(2-Hydroxyethyl)piperazin-1-yl)phenyl)ethanone is C14H20N2O2.
The molecular weight of 1-(4-(4-(2-Hydroxyethyl)piperazin-1-yl)phenyl)ethanone is 248.15248 g/mol.
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