CAS 898775-83-2

Ethyl ε-oxo-4-(1-piperidinylmethyl)benzenehexanoate

Description:

Ethyl ε-oxo-4-(1-piperidinylmethyl)benzenehexanoate, identified by its CAS number 898775-83-2, is a synthetic organic compound characterized by its complex structure, which includes an ethyl ester functional group, a ketone, and a piperidine moiety. This compound typically exhibits a moderate to high molecular weight and is likely to be a solid or viscous liquid at room temperature. Its chemical structure suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to the presence of the piperidine ring, which is often associated with biological activity. The compound may also display moderate solubility in organic solvents, while its solubility in water could be limited due to the hydrophobic nature of the benzene and piperidine components. Additionally, the presence of the ethyl ester group may impart certain reactivity characteristics, making it a candidate for further chemical modifications. Safety and handling precautions should be observed, as with any chemical substance, due to potential toxicity or reactivity.

Formula: C₂₀H₂₉NO₃

InChI: InChI=1S/C20H29NO3/c1-2-24-20(23)9-5-4-8-19(22)18-12-10-17(11-13-18)16-21-14-6-3-7-15-21/h10-13H,2-9,14-16H2,1H3

InChI key: InChIKey=IMENQDWMTNUDLZ-UHFFFAOYSA-N

SMILES: C(C1=CC=C(C(CCCCC(OCC)=O)=O)C=C1)N2CCCCC2

Synonyms:

• Benzenehexanoic acid, ε-oxo-4-(1-piperidinylmethyl)-, ethyl ester
• Ethyl ε-oxo-4-(1-piperidinylmethyl)benzenehexanoate