structure of Methyl 3-{[4-(trifluoromethyl)piperidino]methyl}benzenecarboxylate

Methyl 3-{[4-(trifluoromethyl)piperidino]methyl}benzenecarboxylate

CAS No.: 1000339-86-5
M. Wt: 301.30
M. Fa: C15H18F3NO2
InChI Key: RYBPVJVFLQTAJS-UHFFFAOYSA-N

Names and Identifiers of 1000339-86-5

CAS Number

1000339-86-5

IUPAC Name

methyl 3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]benzoate

InChI

InChI=1S/C15H18F3NO2/c1-21-14(20)12-4-2-3-11(9-12)10-19-7-5-13(6-8-19)15(16,17)18/h2-4,9,13H,5-8,10H2,1H3

InChIKey

RYBPVJVFLQTAJS-UHFFFAOYSA-N

Canonical SMILES

COC(=O)C1=CC=CC(=C1)CN2CCC(CC2)C(F)(F)F

Physical and chemical properties of 1000339-86-5

Molecular Formula

C15H18F3NO2

Molecular Weight

301.30

Applications of 1000339-86-5

Methyl 3-{[4-(trifluoromethyl)piperidino]methyl}benzenecarboxylate finds applications primarily in:

  • Proteomics Research: It serves as a specialty reagent for studying protein interactions and modifications.
  • Drug Development: Due to its unique structure, it may serve as a lead compound for developing new therapeutic agents targeting neurological disorders.
  • Chemical Biology: It can be utilized in various assays to explore biological pathways and mechanisms.

Interaction Studies of 1000339-86-5

Interaction studies involving Methyl 3-{[4-(trifluoromethyl)piperidino]methyl}benzenecarboxylate focus on its potential binding affinity with various receptors and enzymes. Initial assessments indicate that compounds with similar structures often exhibit interactions with neurotransmitter receptors, which could be investigated further through:

  • Binding Assays: Evaluating how this compound binds to specific receptors in vitro.
  • Functional Studies: Assessing its effects on cellular signaling pathways related to neurotransmission.

Such studies are essential for understanding its pharmacological potential and guiding future research directions.