Methyl 3-(piperidin-4-yl)benzoate hydrochloride

Name: Methyl 3-(piperidin-4-yl)benzoate hydrochloride
Brand: ChemScene
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CAS No. 726185-54-2
Cat. No. CS-M3503
Purity≥98%
MDL No.MFCD02179142

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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Methyl 3-(piperidin-4-yl)benzoate hydrochloride|CS-M3503

Structure of 726185-54-2

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General Information

CAS No. 726185-54-2
Cat. No. CS-M3503
Purity ≥98%
MDL No. MFCD02179142
Storage 4°C, sealed storage, away from moisture
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₃H₁₈ClNO₂
Molecular Weight 255.74
Synonym(s) 4-(3-Methoxycarbonylphenyl)piperidine hydrochloride; Methyl 3-(piperidin-4-yl)benzoate hydrochloride; Methyl 3-piperidin-4-yl-benzoate monohydrochloride; Methyl 3-(4-Piperidyl)benzoate Hydrochloride
SMILES O=C(OC)C1=CC(C2CCNCC2)=CC=C1.Cl

Description

Methyl 3-(piperidin-4-yl)benzoate hydrochloride features a piperidine ring linked to a benzoate ester, delivering enhanced solubility and stability under standard conditions. This bench-stable compound integrates readily into synthetic routes requiring polar, nitrogen-containing aromatic scaffolds. The hydrochloride salt form improves handling and crystallization behavior.

Application

Methyl 3-(piperidin-4-yl)benzoate hydrochloride serves as a versatile building block in medicinal chemistry, enabling efficient access to bioactive scaffolds through standard functional group transformations. The piperidine moiety provides favorable solubility and metabolic stability, while the ester group facilitates derivatization via hydrolysis or nucleophilic substitution. Bench-stable and readily purified by recrystallization, it functions effectively in coupling reactions and heterocycle formation, supporting scalable synthesis of target molecules in drug discovery programs.

Synthesis

Route1
- 67-56-1
- 726185-55-3
- ~76%
- In-stock
  
  726185-54-2
References
- Boehringer Ingelheim International GmbH Patent: US2004/192729 A1, 2004 ; Location in patent: Page 32 ;

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

Quality Control

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Computational Chemistry Data

TPSA 38.33
LogP 2.362
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 2

Other Classifications

Building Blocks Skeleton Aliphatic heterocycle compounds Piperidine compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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Methyl 3-(piperidin-4-yl)benzoate hydrochloride

CAS No. 726185-54-2

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