1-[4-(4-Amino-3-methoxyphenyl)piperazin-1-yl]ethan-1-one

Name: 1-[4-(4-Amino-3-methoxyphenyl)piperazin-1-yl]ethan-1-one
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CAS No. 1021426-42-5
Cat. No. CS-0052675
Molecule weight249.31
Purity≥97%
MDL No.None

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1-[4-(4-Amino-3-methoxyphenyl)piperazin-1-yl]ethan-1-one|CS-0052675

Structure of 1021426-42-5

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General Information

CAS No. 1021426-42-5
Cat. No. CS-0052675
Purity ≥97%
MDL No. None
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₃H₁₉N₃O₂
Molecular Weight 249.31
Synonym(s) 4-(4-Acetyl-1-piperazinyl)-2-(methyloxy)aniline
SMILES COC1=CC(=CC=C1N)N1CCN(CC1)C(C)=O

Description

This piperazine-based ketone integrates a para-amino-methoxyphenyl moiety, delivering enhanced solubility and metabolic stability. The scaffold supports efficient coupling in medicinal chemistry workflows, enabling rapid diversification of bioactive molecules under standard conditions.

Application

1-[4-(4-Amino-3-methoxyphenyl)piperazin-1-yl]ethan-1-one serves as a versatile building block in medicinal chemistry, enabling efficient access to diverse heterocyclic scaffolds. Its piperazine core offers favorable solubility and metabolic stability, while the amine and methoxy functionalities provide sites for further derivatization. The acetamide group enhances structural diversity and facilitates purification via crystallization or chromatography. This compound is bench-stable and compatible with standard coupling reactions, making it well-suited for iterative synthesis campaigns targeting CNS-active compounds and kinase inhibitors.

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362+P364

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Computational Chemistry Data

TPSA 58.8
LogP 0.9459
H_Acceptors 4
H_Donors 1
Rotatable_Bonds 2

Other Classifications

Building Blocks Skeleton Aliphatic heterocycle compounds Piperazine compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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1-[4-(4-Amino-3-methoxyphenyl)piperazin-1-yl]ethan-1-one

CAS No. 1021426-42-5

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