1-Methyl-4-(prop-2-yn-1-yl)piperazine

Name: 1-Methyl-4-(prop-2-yn-1-yl)piperazine
Brand: ChemScene
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CAS No. 45813-02-3
Cat. No. CS-0259124
Purity≥98%
MDL No.MFCD09910338

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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1-Methyl-4-(prop-2-yn-1-yl)piperazine|CS-0259124

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Description

1-Methyl-4-(prop-2-yn-1-yl)piperazine features a propargyl group attached to the piperazine nitrogen, enhancing its utility in click chemistry and molecular scaffold diversification. The electron-rich piperazine ring supports efficient coupling reactions under mild conditions, while the terminal alkyne enables selective bioconjugation and metal-catalyzed transformations. This compound exhibits excellent stability and solubility in common organic solvents, facilitating integration into complex synthetic pathways.

Application

1-Methyl-4-(prop-2-yn-1-yl)piperazine serves as a versatile bifunctional building block in medicinal chemistry, combining a nucleophilic piperazine nitrogen with a terminal alkyne for Cu-catalyzed azide-alkyne cycloaddition (CuAAC). The propargyl group enables efficient conjugation and macrocyclization strategies, while the methylated piperazine enhances solubility and metabolic stability. Bench-stable and readily purified by column chromatography, it facilitates rapid access to triazole-containing scaffolds in fragment-based drug discovery and covalent inhibitor design.

General Information

CAS No. 45813-02-3
Cat. No. CS-0259124
Purity ≥98%
MDL No. MFCD09910338
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₁₄N₂
Molecular Weight 138.21
Synonym(s) 1-Methyl-4-prop-2-ynyl-piperazine
SMILES C#CCN1CCN(C)CC1

Computational Chemistry Data

TPSA 6.48
LogP -0.133
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 1

Safety Information

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GHS Pictogram :	GHS No : GHS05
Signal Word : Danger	UN#: 1759
Class : 8	Packing Group : Ⅲ
Hazard Statements : H227-H302-H314-H335
Precautionary Statements : P210-P260-P264-P270-P271-P280-P301+P330+P331-P304+P340-P363-P370+P378-P405-P501

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Other Classifications

Building Blocks Skeleton Aliphatic heterocycle compounds Piperazine compounds

Life Science Click Chemistry Reagents Alkyne

Chemical Biology Pharmaceutical Development and Drug Discovery Research Conjugation Chemistry/Click Chemistry Terminal Alkynes

Chemical Biology Conjugation Chemistry/Click Chemistry Terminal Alkynes

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1-Methyl-4-(prop-2-yn-1-yl)piperazine

CAS No. 45813-02-3

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