TL;DR: [1-(4-Fluorobenzyl)-3-oxo-2-piperazinyl]acetic acid (CAS 1033600-10-0) is a chemical compound with molecular formula C13H15FN2O3 and molecular weight 266.10666 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetic acid
Also Known As: [1-(4-fluorobenzyl)-3-oxo-2-piperazinyl]acetic acid|KS-00003ZH4|2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetic acid|2-(1-(4-Fluorobenzyl)-3-oxopiperazin-2-yl)acetic acid|Y-1779|[1-(4-fluorobenzyl)-3-oxopiperazin-2-yl]acetic acid|AB01283466-01|AN-329/43074162|SR-01000014504-1|2-[1-(4-Fluorobenzyl)-3-oxo-2-piperazinyl]acetic acid|2-[1-[(4-fluorophenyl)methyl]-3-oxo-piperazin-2-yl]acetic Acid|2-{1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl}acetic acid|MFCD05666726|STL064659|SR-01000014504
| Molecular Formula | C13H15FN2O3 |
| Molecular Weight | 266.10666 g/mol |
| XLogP | -1.8 |
| Topological Polar Surface Area (TPSA) | 69.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 266.10666 Da |
| Heavy Atoms | 19 |
| Complexity | 343.0 |
| SMILES | C1CN(C(C(=O)N1)CC(=O)O)CC2=CC=C(C=C2)F |
| InChIKey | SCEUAHLNMWSZJE-UHFFFAOYSA-N |
The XLogP value of -1.8 indicates that [1-(4-Fluorobenzyl)-3-oxo-2-piperazinyl]acetic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for [1-(4-Fluorobenzyl)-3-oxo-2-piperazinyl]acetic acid. Following Lipinski's Rule of Five, [1-(4-Fluorobenzyl)-3-oxo-2-piperazinyl]acetic acid 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 [1-(4-Fluorobenzyl)-3-oxo-2-piperazinyl]acetic acid is 1033600-10-0.
The molecular formula of [1-(4-Fluorobenzyl)-3-oxo-2-piperazinyl]acetic acid is C13H15FN2O3.
The molecular weight of [1-(4-Fluorobenzyl)-3-oxo-2-piperazinyl]acetic acid is 266.10666 g/mol.
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