CAS 1198416-87-3

3-Piperidinecarboxylic acid, 3-[[4-(trifluoromethyl)phenyl]methyl]-, ethyl ester, ethanedioate (1:1)

Description:

3-Piperidinecarboxylic acid, 3-[[4-(trifluoromethyl)phenyl]methyl]-, ethyl ester, ethanedioate (1:1), identified by CAS number 1198416-87-3, is a chemical compound characterized by its complex structure that includes a piperidine ring, a trifluoromethyl-substituted phenyl group, and an ethyl ester functional group. This compound typically exhibits properties associated with both its piperidine and aromatic components, such as moderate polarity and potential for hydrogen bonding due to the carboxylic acid moiety. The presence of the trifluoromethyl group enhances its lipophilicity and may influence its biological activity, making it of interest in medicinal chemistry. Additionally, the ethanedioate component suggests potential for forming salts or complexes, which can affect solubility and reactivity. Overall, this compound may be utilized in various applications, including pharmaceuticals and agrochemicals, where its unique structural features can impart specific functional properties. However, detailed studies on its reactivity, stability, and biological interactions would be necessary to fully understand its potential uses.

Formula: C₁₆H₂₀F₃NO₂·C₂H₂O₄

InChI: InChI=1S/C16H20F3NO2.C2H2O4/c1-2-22-14(21)15(8-3-9-20-11-15)10-12-4-6-13(7-5-12)16(17,18)19;3-1(4)2(5)6/h4-7,20H,2-3,8-11H2,1H3;(H,3,4)(H,5,6)

InChI key: InChIKey=HVFQVUNEAYXNGP-UHFFFAOYSA-N

SMILES: C(C1(C(OCC)=O)CCCNC1)C2=CC=C(C(F)(F)F)C=C2.C(C(O)=O)(O)=O

Synonyms:

• 3-Piperidinecarboxylic acid, 3-[[4-(trifluoromethyl)phenyl]methyl]-, ethyl ester, ethanedioate (1:1)