structure of 1-[4-(Ethylsulphonyl)-2-fluorophenyl]-3-methylpiperazine

1-[4-(Ethylsulphonyl)-2-fluorophenyl]-3-methylpiperazine

CAS No.: 1000339-75-2
M. Wt: 286.37
M. Fa: C13H19FN2O2S
InChI Key: QLOVVGFUELASSZ-UHFFFAOYSA-N

Names and Identifiers of 1000339-75-2

CAS Number

1000339-75-2

MDL Number

MFCD09264562

IUPAC Name

1-(4-ethylsulfonyl-2-fluorophenyl)-3-methylpiperazine

InChI

InChI=1S/C13H19FN2O2S/c1-3-19(17,18)11-4-5-13(12(14)8-11)16-7-6-15-10(2)9-16/h4-5,8,10,15H,3,6-7,9H2,1-2H3

InChIKey

QLOVVGFUELASSZ-UHFFFAOYSA-N

Canonical SMILES

CCS(=O)(=O)C1=CC(=C(C=C1)N2CCNC(C2)C)F

UNSPSC Code

12352100

Physical and chemical properties of 1000339-75-2

Molecular Formula

C13H19FN2O2S

Molecular Weight

286.37

Safety Information of 1000339-75-2

Pictograms

Signal Word

 Warning

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

Applications of 1000339-75-2

1-[4-(Ethylsulphonyl)-2-fluorophenyl]-3-methylpiperazine has several potential applications:

  • Pharmaceutical development: Its unique structure may lead to new therapeutic agents targeting neurological disorders or pain management.
  • Chemical research: As a versatile intermediate, it can be used in synthesizing other complex organic compounds.
  • Material science: The compound's properties may be explored in developing new materials with specialized functionalities due to its unique electronic characteristics.

Interaction Studies of 1000339-75-2

Interaction studies involving 1-[4-(Ethylsulphonyl)-2-fluorophenyl]-3-methylpiperazine focus on its binding affinity to various biological targets. Preliminary studies suggest interactions with:

  • Serotonin receptors: Potential modulation of serotonin pathways could explain its antidepressant-like effects.
  • Pain receptors (opioid receptors): Investigating its affinity for these receptors may elucidate its antinociceptive properties.
  • Microbial enzymes: Assessing inhibitory effects on bacterial enzymes could reveal its antimicrobial potential.

Biological Activity of 1000339-75-2

1-[4-(Ethylsulphonyl)-2-fluorophenyl]-3-methylpiperazine exhibits potential biological activities that may include:

  • Antidepressant effects: Similar compounds have been studied for their ability to modulate neurotransmitter systems, suggesting this compound might influence mood regulation.
  • Antinociceptive properties: Its structural similarity to known analgesics indicates potential pain-relieving effects, warranting further investigation.
  • Antimicrobial activity: Compounds with sulphonyl groups often exhibit antibacterial properties, making this compound a candidate for further testing against various pathogens.