5-(4-Methylpiperazin-1-yl)-1H-indole

Name: 5-(4-Methylpiperazin-1-yl)-1H-indole
Brand: ChemScene
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CAS No. 412049-06-0
Cat. No. CS-0151078
Molecule weight215.29
Purity≥95%
MDL No.MFCD17392869

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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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5-(4-Methylpiperazin-1-yl)-1H-indole|CS-0151078

Structure of 412049-06-0

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General Information

CAS No. 412049-06-0
Cat. No. CS-0151078
Purity ≥95%
MDL No. MFCD17392869
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₃H₁₇N₃
Molecular Weight 215.29
Synonym(s) None
SMILES CN1CCN(CC1)C2=CC=C3C(=C2)C=CN3

Description

5-(4-Methylpiperazin-1-yl)-1H-indole features a sterically accessible indole core functionalized with a hydrophilic piperazine wing, enabling efficient integration into bioactive scaffolds. The electron-rich indole system enhances π-stacking potential in target binding, while the methylpiperazine moiety improves solubility and metabolic stability under standard bench conditions.

Application

5-(4-Methylpiperazin-1-yl)-1H-indole serves as a versatile building block in medicinal chemistry, enabling efficient access to bioactive heterocyclic scaffolds. The indole core provides a stable, planar framework with tunable reactivity, while the 4-methylpiperazine moiety offers enhanced solubility and hydrogen-bonding capacity. This combination facilitates downstream functionalization via standard coupling reactions and supports scaffold hopping in CNS-targeted drug discovery. The compound exhibits good bench stability and is compatible with common purification methods.

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 : 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 22.27
LogP 1.9197
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Skeleton Aliphatic heterocycle compounds Piperazine compounds

Key Words

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5-(4-Methylpiperazin-1-yl)-1H-indole

CAS No. 412049-06-0

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