structure of 3-{2-[4-(Trifluoromethyl)piperidino]ethyl}benzenecarbaldehyde

3-{2-[4-(Trifluoromethyl)piperidino]ethyl}benzenecarbaldehyde

CAS No.: 1000339-89-8
M. Wt: 285.3
M. Fa: C15H18F3NO
InChI Key: GLQWIAKPLYCPDZ-UHFFFAOYSA-N

Names and Identifiers of 1000339-89-8

CAS Number

1000339-89-8

IUPAC Name

3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]benzaldehyde

InChI

InChI=1S/C15H18F3NO/c16-15(17,18)14-5-8-19(9-6-14)7-4-12-2-1-3-13(10-12)11-20/h1-3,10-11,14H,4-9H2

InChIKey

GLQWIAKPLYCPDZ-UHFFFAOYSA-N

Canonical SMILES

C1CN(CCC1C(F)(F)F)CCC2=CC(=CC=C2)C=O

Physical and chemical properties of 1000339-89-8

Acidity coefficient

8.07±0.10(Predicted)

Boiling Point

336.1±42.0 °C(Predicted)

Density

1.186±0.06 g/cm3(Predicted)

Molecular Formula

C15H18F3NO

Molecular Weight

285.3

Safety Information of 1000339-89-8

Pictograms

Signal Word

 Warning

Safety Data Sheet
Supports customized editing of SDS information and downloading in PDF documents.

Applications of 1000339-89-8

3-{2-[4-(Trifluoromethyl)piperidino]ethyl}benzenecarbaldehyde has several potential applications:

  • Medicinal Chemistry: Its structure suggests possible use as a lead compound in drug development for neurological disorders.
  • Material Science: The trifluoromethyl group imparts unique properties that could be useful in developing advanced materials with specific thermal or chemical resistance.
  • Research Reagent: It serves as a valuable reagent in organic synthesis for producing other complex molecules.

Interaction Studies of 1000339-89-8

Interaction studies involving this compound focus on its binding affinity and mechanism of action concerning biological targets. Initial studies suggest that it may interact with neurotransmitter receptors or enzymes involved in metabolic pathways. Further research is necessary to elucidate these interactions fully and assess their implications for therapeutic use.

Biological Activity of 1000339-89-8

The biological activity of 3-{2-[4-(Trifluoromethyl)piperidino]ethyl}benzenecarbaldehyde is primarily linked to its structural features. Compounds with similar piperidine structures have been studied for their potential as:

  • Antidepressants: Some piperidine derivatives exhibit efficacy in treating depression.
  • Antipsychotics: Others have shown promise in managing symptoms of psychotic disorders.
  • Antitumor Agents: Research indicates that trifluoromethyl-substituted compounds may possess anticancer properties due to their ability to interact with biological targets at the cellular level.