3-Fluoro-4-(piperazin-1-yl)benzonitrile

Name: 3-Fluoro-4-(piperazin-1-yl)benzonitrile
Brand: ChemScene
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CAS No. 182181-38-0
Cat. No. CS-0157141
Purity≥98%
MDL No.None

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Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
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3-Fluoro-4-(piperazin-1-yl)benzonitrile|CS-0157141

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General Information

CAS No. 182181-38-0
Cat. No. CS-0157141
Purity ≥98%
MDL No. None
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₁H₁₂FN₃
Molecular Weight 205.23
Synonym(s) 3-Fluoro-4-piperazinylbenzonitrile
SMILES C1=CC(=C(C=C1C#N)F)N2CCNCC2

Description

3-Fluoro-4-(piperazin-1-yl)benzonitrile features a fluorinated aromatic core paired with a piperazine moiety, delivering enhanced solubility and metabolic stability. This electron-deficient aryl nitrile integrates readily into medicinal chemistry scaffolds, serving as a key building block for kinase inhibitors and CNS-targeted therapeutics.

Application

3-Fluoro-4-(piperazin-1-yl)benzonitrile serves as a versatile building block in medicinal chemistry, enabling the construction of bioactive heterocycles and pharmaceutical scaffolds. The nitrile group offers high functional group tolerance and facilitates downstream transformations such as amidation or reduction. The piperazinyl moiety provides a polar, basic nitrogen for hydrogen bonding and solubility enhancement. This compound exhibits bench stability and is compatible with standard coupling reactions, making it suitable for parallel synthesis campaigns and API development workflows.

Synthesis

Route1
- 110-85-0
- In-stock
  
  64248-62-0
- ~%
- In-stock
  
  182181-38-0
References
- US5912246 A1, ; US 5912246 A

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

TPSA 39.06
LogP 1.10698
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Cyanide/Nitrile

Building Blocks Skeleton Aliphatic heterocycle compounds Piperazine compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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3-Fluoro-4-(piperazin-1-yl)benzonitrile

CAS No. 182181-38-0

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