structure of 2-(4-Bromophenyl)-2-(piperazin-1-yl)acetonitrile

2-(4-Bromophenyl)-2-(piperazin-1-yl)acetonitrile

CAS No.: 1000406-20-1
M. Wt: -
M. Fa: -
InChI Key: XVWJNCXBTLEMBD-UHFFFAOYSA-N

Names and Identifiers of 1000406-20-1

CAS Number

1000406-20-1

IUPAC Name

2-(4-bromophenyl)-2-piperazin-1-ylacetonitrile

InChI

InChI=1S/C12H14BrN3/c13-11-3-1-10(2-4-11)12(9-14)16-7-5-15-6-8-16/h1-4,12,15H,5-8H2

InChIKey

XVWJNCXBTLEMBD-UHFFFAOYSA-N

Canonical SMILES

C1CN(CCN1)C(C#N)C2=CC=C(C=C2)Br

Physical and chemical properties of 1000406-20-1

Acidity coefficient

8.67±0.10(Predicted)

Boiling Point

384.8±42.0 °C(Predicted)

Density

1.410±0.06 g/cm3(Predicted)

Safety Information of 1000406-20-1

Pictograms

Signal Word

 Warning

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

Applications of 1000406-20-1

2-(3-Bromophenyl)-2-(piperazin-1-YL)acetonitrileBromine at meta positionSimilar applications in medicinal chemistry2-(3-Chlorophenyl)-2-(piperazin-1-YL)acetonitrileChlorine instead of brominePotential anti-cancer activity2-(3-Fluorophenyl)-2-(piperazin-1-YL)acetonitrileFluorine instead of bromineVariations in receptor binding profiles

Interaction Studies of 1000406-20-1

Research into the interaction of 2-(4-Bromophenyl)-2-(piperazin-1-yl)acetonitrile with biological targets has revealed its potential to influence receptor activity and enzyme function. Studies suggest that compounds with similar piperazine structures often engage in significant interactions with neurotransmitter receptors, which may lead to therapeutic effects. Further investigation into its binding affinity and mechanism of action could elucidate its role in pharmacology.

Biological Activity of 1000406-20-1

The biological activity of 2-(4-Bromophenyl)-2-(piperazin-1-yl)acetonitrile is linked to its interaction with specific receptors and enzymes within biological systems. It has been shown to modulate neurotransmitter pathways, which may contribute to its pharmacological effects. Studies indicate that compounds with similar structures often exhibit significant activity against various biological targets, making this compound a candidate for further exploration in drug development.