CAS 898773-99-4

Ethyl η-oxo-2-(1-piperidinylmethyl)benzeneoctanoate

Description:

Ethyl η-oxo-2-(1-piperidinylmethyl)benzeneoctanoate, identified by its CAS number 898773-99-4, is a chemical compound that features a complex structure incorporating both an ethyl ester and a piperidine moiety. This compound is characterized by its functional groups, which include an ester linkage and a ketone, contributing to its potential reactivity and solubility properties. The presence of the piperidine ring suggests that it may exhibit basic properties and could participate in various chemical reactions, including nucleophilic substitutions. Additionally, the aromatic benzene ring contributes to the compound's stability and may influence its interactions with biological systems. Ethyl η-oxo-2-(1-piperidinylmethyl)benzeneoctanoate may have applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to its structural features that could interact with biological targets. However, specific data regarding its physical properties, such as melting point, boiling point, and solubility, would require further investigation or experimental determination.

Formula: C₂₂H₃₃NO₃

InChI: InChI=1/C22H33NO3/c1-2-26-22(25)15-7-4-3-6-14-21(24)20-13-9-8-12-19(20)18-23-16-10-5-11-17-23/h8-9,12-13H,2-7,10-11,14-18H2,1H3

InChI key: InChIKey=SBXMTKVGZWOAND-UHFFFAOYSA-N

SMILES: C(CCCCCCC(OCC)=O)(=O)C1=C(CN2CCCCC2)C=CC=C1

Synonyms:

• Ethyl η-oxo-2-(1-piperidinylmethyl)benzeneoctanoate
• Benzeneoctanoic acid, η-oxo-2-(1-piperidinylmethyl)-, ethyl ester
• ETHYL 8-OXO-8-[2-(PIPERIDINOMETHYL)PHENYL]OCTANOATE
• Ethyl 8-oxo-8-(2-(piperidin-1-ylmethyl)phenyl)octanoate