3-Fluoro-4-(4-methylpiperazin-1-yl)aniline

Name: 3-Fluoro-4-(4-methylpiperazin-1-yl)aniline
Brand: ChemScene
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CAS No. 221198-99-8
Cat. No. CS-W021915
Purity≥98%
MDL No.MFCD05663793

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FedEx Limited Quantities Ground	$0.00
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3-Fluoro-4-(4-methylpiperazin-1-yl)aniline|CS-W021915

Structure of 221198-99-8

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General Information

CAS No. 221198-99-8
Cat. No. CS-W021915
Purity ≥98%
MDL No. MFCD05663793
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₁H₁₆FN₃
Molecular Weight 209.26
Synonym(s) 3-Fluoro-4-(4-methylpiperazin-1-yl)phenylamine
SMILES CN1CCN(CC1)C1=C(F)C=C(N)C=C1

Description

3-Fluoro-4-(4-methylpiperazin-1-yl)aniline features a fluorinated aromatic core paired with a sterically accessible piperazine handle, enabling efficient conjugation in medicinal chemistry. The electron-rich amine moiety facilitates rapid derivatization under standard coupling conditions. This scaffold supports target engagement in kinase inhibitor design and CNS-targeted drug discovery.

Application

3-Fluoro-4-(4-methylpiperazin-1-yl)aniline serves as a versatile building block in medicinal chemistry, enabling the synthesis of bioactive heterocycles and kinase inhibitor scaffolds. The aniline functionality facilitates direct coupling reactions, while the fluorine substituent enhances metabolic stability and modulates electronic properties. The 4-methylpiperazinyl group provides solubility and hydrogen-bonding capacity, supporting drug-like properties. This compound exhibits bench stability and compatibility with standard purification methods, making it well-suited for iterative synthesis campaigns in API development.

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

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Computational Chemistry Data

TPSA 32.5
LogP 1.1597
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 1

Other Classifications

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-(4-methylpiperazin-1-yl)aniline

CAS No. 221198-99-8

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