CAS 1220030-11-4

Benzoic acid, 4-[2-(2-piperidinyl)ethoxy]-, phenylmethyl ester, hydrochloride (1:1)

Description:

Benzoic acid, 4-[2-(2-piperidinyl)ethoxy]-, phenylmethyl ester, hydrochloride (1:1) is a chemical compound characterized by its complex structure, which includes a benzoic acid moiety, an ether linkage, and a piperidine ring. This compound typically appears as a white to off-white crystalline solid and is soluble in polar solvents such as water and alcohols, owing to the presence of the hydrochloride salt form. The piperidine group contributes to its potential biological activity, making it of interest in medicinal chemistry. The ester functional group indicates that it may undergo hydrolysis under certain conditions, releasing benzoic acid and the corresponding alcohol. Its hydrochloride form enhances its stability and solubility, which is advantageous for pharmaceutical applications. As with many organic compounds, it is essential to handle this substance with care, observing appropriate safety protocols due to potential toxicity and reactivity. Overall, this compound's unique structure and properties make it a subject of interest in various chemical and pharmaceutical research contexts.

Formula: C₂₁H₂₅NO₃·ClH

InChI: InChI=1S/C21H25NO3.ClH/c23-21(25-16-17-6-2-1-3-7-17)18-9-11-20(12-10-18)24-15-13-19-8-4-5-14-22-19;/h1-3,6-7,9-12,19,22H,4-5,8,13-16H2;1H

InChI key: InChIKey=RRGHSGZNROPTGK-UHFFFAOYSA-N

SMILES: C(OCC1=CC=CC=C1)(=O)C2=CC=C(OCCC3CCCCN3)C=C2.Cl

Synonyms:

• Benzoic acid, 4-[2-(2-piperidinyl)ethoxy]-, phenylmethyl ester, hydrochloride (1:1)