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CAS 898789-51-0

:

Ethyl 3-[(4-methyl-1-piperazinyl)methyl]-ε-oxobenzenehexanoate

Description:
Ethyl 3-[(4-methyl-1-piperazinyl)methyl]-ε-oxobenzenehexanoate, identified by its CAS number 898789-51-0, is a chemical compound that features a complex structure incorporating both an ethyl ester and a piperazine moiety. This compound typically exhibits characteristics common to esters, such as being relatively non-polar, which can influence its solubility in organic solvents. The presence of the piperazine ring suggests potential biological activity, as piperazine derivatives are often associated with pharmacological properties. The ε-oxobenzenehexanoate portion indicates that the compound may have functional groups that can participate in various chemical reactions, including nucleophilic substitutions or esterifications. Additionally, the presence of the methyl group on the piperazine ring may enhance lipophilicity, potentially affecting the compound's interaction with biological membranes. Overall, this compound's unique structure may contribute to its utility in medicinal chemistry or as a building block in the synthesis of more complex molecules. However, specific properties such as melting point, boiling point, and reactivity would require empirical data for precise characterization.
Formula:C20H30N2O3
InChI:InChI=1S/C20H30N2O3/c1-3-25-20(24)10-5-4-9-19(23)18-8-6-7-17(15-18)16-22-13-11-21(2)12-14-22/h6-8,15H,3-5,9-14,16H2,1-2H3
InChI key:InChIKey=PBPNNWZQHOICLF-UHFFFAOYSA-N
SMILES:C(C1=CC(C(CCCCC(OCC)=O)=O)=CC=C1)N2CCN(C)CC2
Synonyms:
  • Ethyl 3-[(4-methyl-1-piperazinyl)methyl]-ε-oxobenzenehexanoate
  • Benzenehexanoic acid, 3-[(4-methyl-1-piperazinyl)methyl]-ε-oxo-, ethyl ester
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