CAS 1219964-44-9

Benzoic acid, 2-[[2-(2-piperidinyl)ethoxy]methyl]-, methyl ester, hydrochloride (1:1)

Description:

Benzoic acid, 2-[[2-(2-piperidinyl)ethoxy]methyl]-, methyl ester, hydrochloride (1:1), with CAS number 1219964-44-9, is a chemical compound characterized by its benzoic acid core structure modified with a piperidine moiety. This compound features a methyl ester functional group, which enhances its lipophilicity and may influence its biological activity. The presence of the hydrochloride indicates that it is a salt form, which typically improves solubility in aqueous environments, making it more suitable for pharmaceutical applications. The piperidine ring contributes to its potential pharmacological properties, as piperidine derivatives are often associated with various biological activities, including analgesic and anti-inflammatory effects. The compound's structure suggests it may interact with biological targets, potentially serving as a lead compound in drug development. Its stability, solubility, and reactivity would be influenced by the ester and hydrochloride functionalities, making it a subject of interest in medicinal chemistry and related fields.

Formula: C₁₆H₂₃NO₃·ClH

InChI: InChI=1S/C16H23NO3.ClH/c1-19-16(18)15-8-3-2-6-13(15)12-20-11-9-14-7-4-5-10-17-14;/h2-3,6,8,14,17H,4-5,7,9-12H2,1H3;1H

InChI key: InChIKey=WBQDNUJFFBAXSC-UHFFFAOYSA-N

SMILES: C(OCCC1CCCCN1)C2=C(C(OC)=O)C=CC=C2.Cl

Synonyms:

• Benzoic acid, 2-[[2-(2-piperidinyl)ethoxy]methyl]-, methyl ester, hydrochloride (1:1)