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CAS 514209-40-6

:

2-[(4-methylpiperazin-1-yl)methyl]benzoic acid

Description:
2-[(4-Methylpiperazin-1-yl)methyl]benzoic acid, with the CAS number 514209-40-6, is a chemical compound characterized by its structure, which includes a benzoic acid moiety and a piperazine ring substituted with a methyl group. This compound typically exhibits properties associated with both aromatic and aliphatic systems, contributing to its potential solubility in various organic solvents. The presence of the carboxylic acid functional group suggests it can participate in acid-base reactions, while the piperazine ring may impart basic characteristics, allowing for interactions with biological targets. The compound is often studied for its pharmacological potential, particularly in the development of pharmaceuticals, due to its ability to interact with various receptors and enzymes. Additionally, its molecular structure may influence its lipophilicity, stability, and bioavailability, making it a subject of interest in medicinal chemistry. Overall, 2-[(4-methylpiperazin-1-yl)methyl]benzoic acid represents a versatile scaffold for further chemical modifications and applications in drug design.
Formula:C13H18N2O2
InChI:InChI=1/C13H18N2O2/c1-14-6-8-15(9-7-14)10-11-4-2-3-5-12(11)13(16)17/h2-5H,6-10H2,1H3,(H,16,17)
SMILES:CN1CCN(CC1)Cc1ccccc1C(=O)O
Synonyms:
  • Benzoic Acid, 2-[(4-Methyl-1-Piperazinyl)Methyl]-
  • 2-[(4-Methylpiperazin-1-yl)methyl]benzoic acid
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