CAS 1131622-33-7

4-[(3-Butyl-1-piperazinyl)methyl]benzoic acid

Description:

4-[(3-Butyl-1-piperazinyl)methyl]benzoic acid is an organic compound characterized by its structure, which includes a benzoic acid moiety substituted with a piperazine group. The presence of the butyl chain on the piperazine ring contributes to its hydrophobic properties, while the carboxylic acid functional group imparts acidic characteristics. This compound is typically a white to off-white solid at room temperature and is soluble in polar solvents due to the carboxylic acid group, while its hydrophobic piperazine side may limit solubility in non-polar solvents. It may exhibit biological activity, potentially acting as a pharmaceutical intermediate or a ligand in medicinal chemistry. The compound's molecular interactions can be influenced by the piperazine's nitrogen atoms, which can participate in hydrogen bonding and coordination with various biological targets. As with many organic compounds, safety data should be consulted for handling and usage, as it may pose risks depending on concentration and exposure.

Formula: C₁₆H₂₄N₂O₂

InChI: InChI=1S/C16H24N2O2/c1-2-3-4-15-12-18(10-9-17-15)11-13-5-7-14(8-6-13)16(19)20/h5-8,15,17H,2-4,9-12H2,1H3,(H,19,20)

InChI key: InChIKey=YDCPQIIAPGUZRB-UHFFFAOYSA-N

SMILES: C(N1CC(CCCC)NCC1)C2=CC=C(C(O)=O)C=C2

Synonyms:

• Benzoic acid, 4-[(3-butyl-1-piperazinyl)methyl]-
• 4-[(3-Butyl-1-piperazinyl)methyl]benzoic acid