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CAS 1187931-15-2

:

3-Piperazin-1-yl-benzoic acid dihydrochloride

Description:
3-Piperazin-1-yl-benzoic acid dihydrochloride is a chemical compound characterized by its piperazine ring, which is a six-membered cyclic amine, and a benzoic acid moiety. This compound typically appears as a white to off-white crystalline solid and is soluble in water due to the presence of the dihydrochloride salt form, which enhances its solubility and stability. The piperazine group contributes to its potential biological activity, making it of interest in pharmaceutical research, particularly in the development of drugs targeting various neurological and psychiatric conditions. The dihydrochloride form indicates that the compound has two hydrochloride ions associated with it, which can influence its pharmacokinetic properties. Additionally, the presence of both basic (from the piperazine) and acidic (from the benzoic acid) functional groups allows for various interactions in biological systems, potentially affecting its binding affinity and efficacy. Overall, this compound's unique structure and properties make it a subject of interest in medicinal chemistry and drug development.
Formula:C11H14N2O2·2ClH
InChI:InChI=1S/C11H14N2O2.2ClH/c14-11(15)9-2-1-3-10(8-9)13-6-4-12-5-7-13;;/h1-3,8,12H,4-7H2,(H,14,15);2*1H
InChI key:InChIKey=YWKFNQMCJUDMHH-UHFFFAOYSA-N
SMILES:C(O)(=O)C=1C=C(C=CC1)N2CCNCC2.Cl
Synonyms:
  • Benzoic acid, 3-(1-piperazinyl)-, hydrochloride (1:2)
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