Methyl 4-piperazin-1-ylbenzoate

Name: Methyl 4-piperazin-1-ylbenzoate
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CAS No. 163210-97-7
Cat. No. CS-0116769
Purity≥97%
MDL No.MFCD08234800

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
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Methyl 4-piperazin-1-ylbenzoate|CS-0116769

Structure of 163210-97-7

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General Information

CAS No. 163210-97-7
Cat. No. CS-0116769
Purity ≥97%
MDL No. MFCD08234800
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₂H₁₆N₂O₂
Molecular Weight 220.27
Synonym(s) None
SMILES O=C(OC)C1=CC=C(C=C1)N2CCNCC2

Description

Methyl 4-piperazin-1-ylbenzoate features a piperazinyl moiety linked to a benzoate ester, delivering enhanced solubility and metabolic stability. This combination enables efficient integration into bioactive scaffolds, particularly in medicinal chemistry campaigns targeting kinase inhibitors and CNS-active compounds. The molecule's electron-rich heterocycle supports favorable binding interactions, while the ester group allows for controlled hydrolysis in biological environments.

Application

Methyl 4-piperazin-1-ylbenzoate serves as a versatile building block in medicinal chemistry, enabling efficient access to bioactive scaffolds through standard coupling and functional group transformation protocols. Its piperazine moiety offers favorable solubility and hydrogen-bonding capacity, while the ester function facilitates selective derivatization under mild conditions. Bench-stable and readily purified by chromatography, it functions as a key intermediate in the synthesis of kinase inhibitors and CNS-targeted compounds.

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
Precautionary Statements : P261-P280-P304+P340

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Computational Chemistry Data

TPSA 41.57
LogP 0.8828
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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Methyl 4-piperazin-1-ylbenzoate

CAS No. 163210-97-7

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