structure of 1-[(4-Fluoro-2-methylsulfonyl)phenyl]-4-methylpiperazine

1-[(4-Fluoro-2-methylsulfonyl)phenyl]-4-methylpiperazine

CAS No.: 1000339-70-7
M. Wt: 272.339
M. Fa: C12H17FN2O2S
InChI Key: QURSCNLXCVCJTM-UHFFFAOYSA-N

Names and Identifiers of 1000339-70-7

CAS Number

1000339-70-7

MDL Number

MFCD09264547

IUPAC Name

1-(4-fluoro-2-methylsulfonylphenyl)-4-methylpiperazine

InChI

InChI=1S/C12H17FN2O2S/c1-14-5-7-15(8-6-14)11-4-3-10(13)9-12(11)18(2,16)17/h3-4,9H,5-8H2,1-2H3

InChIKey

QURSCNLXCVCJTM-UHFFFAOYSA-N

Canonical SMILES

CN1CCN(C2=CC=C(F)C=C2S(C)(=O)=O)CC1

UNSPSC Code

12352100

Physical and chemical properties of 1000339-70-7

Boiling Point

441.0±45.0 °C at 760 mmHg

Density

1.2±0.1 g/cm3

Exact Mass

272.099487

Flash Point

220.5±28.7 °C

Index of Refraction

1.545

LogP

0.54

Melting Point

97～99℃

Molecular Formula

C12H17FN2O2S

Molecular Weight

272.339

Vapour Pressure

0.0±1.1 mmHg at 25°C

Safety Information of 1000339-70-7

Pictograms

Signal Word

 Warning

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

Applications of 1000339-70-7

1-[(4-Fluoro-2-methylsulfonyl)phenyl]-4-methylpiperazine has potential applications in various fields:

  • Pharmaceutical Development: Its structural features make it a candidate for developing new therapeutic agents targeting neurological disorders.
  • Chemical Research: It serves as a building block in organic synthesis for creating more complex molecules.
  • Material Science: Investigations into its properties may reveal applications in polymer chemistry or as a precursor in advanced materials.

Interaction Studies of 1000339-70-7

Studies on the interactions of 1-[(4-Fluoro-2-methylsulfonyl)phenyl]-4-methylpiperazine with biological targets are crucial for understanding its pharmacodynamics. Research indicates that this compound may interact with serotonin receptors and dopamine receptors, which are pivotal in mood regulation and psychotropic effects. Further interaction studies using advanced techniques like molecular docking simulations could elucidate binding affinities and mechanisms.

Biological Activity of 1000339-70-7

This compound exhibits significant biological activity, particularly in pharmacological contexts. Piperazine derivatives are often studied for their effects on central nervous system disorders, anti-inflammatory properties, and potential as antipsychotic agents. Preliminary studies suggest that 1-[(4-Fluoro-2-methylsulfonyl)phenyl]-4-methylpiperazine may interact with various neurotransmitter receptors, although specific mechanisms require further investigation.