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CAS 859027-02-4

:

Benzoic acid, 4-[(4-methyl-1-piperazinyl)methyl]-3-(trifluoromethyl)-, hydrochloride (1:2)

Description:
Benzoic acid, 4-[(4-methyl-1-piperazinyl)methyl]-3-(trifluoromethyl)-, hydrochloride (1:2) is a chemical compound characterized by its complex structure, which includes a benzoic acid moiety substituted with a trifluoromethyl group and a piperazine derivative. This compound typically appears as a white to off-white solid and is soluble in polar solvents, reflecting its ionic nature due to the hydrochloride form. The presence of the trifluoromethyl group enhances its lipophilicity and may influence its biological activity, making it of interest in pharmaceutical research. The piperazine ring contributes to its potential as a pharmacophore, often associated with various therapeutic effects. As a hydrochloride salt, it is more stable and easier to handle than its free base form. This compound may exhibit properties such as antimicrobial or anti-inflammatory activities, although specific biological effects would depend on further empirical studies. Proper handling and storage conditions are essential due to its chemical nature, and safety data sheets should be consulted for information on toxicity and safety precautions.
Formula:C14H17F3N2O2·2ClH
InChI:InChI=1S/C14H17F3N2O2.2ClH/c1-18-4-6-19(7-5-18)9-11-3-2-10(13(20)21)8-12(11)14(15,16)17;;/h2-3,8H,4-7,9H2,1H3,(H,20,21);2*1H
InChI key:InChIKey=PPNMXEJPTKPASZ-UHFFFAOYSA-N
SMILES:C(C1=C(C(F)(F)F)C=C(C(O)=O)C=C1)N2CCN(C)CC2.Cl
Synonyms:
  • Benzoic acid, 4-[(4-methyl-1-piperazinyl)methyl]-3-(trifluoromethyl)-, dihydrochloride
  • Benzoic acid, 4-[(4-methyl-1-piperazinyl)methyl]-3-(trifluoromethyl)-, hydrochloride (1:2)
  • 4-(4-Methylpiperazin-1-ylmethyl)-3-trifluoromethylbenzoic acid dihydrochloride
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