Cas no 1185013-13-1 (Methyl 2-piperidin-4-ylpropanoate Hydrochloride)

Methyl 2-piperidin-4-ylpropanoate Hydrochloride is a synthetic organic compound featuring a piperidine core esterified with a methyl propanoate group, in its hydrochloride salt form. This structure enhances its solubility and stability, making it suitable for pharmaceutical and chemical research applications. The compound is often utilized as an intermediate in the synthesis of biologically active molecules, particularly those targeting neurological and therapeutic pathways. Its hydrochloride form ensures improved handling and storage characteristics. The presence of both ester and amine functionalities allows for versatile reactivity, facilitating further derivatization. This compound is valued for its purity and consistency, meeting rigorous research and industrial standards.
Methyl 2-piperidin-4-ylpropanoate Hydrochloride structure
1185013-13-1 structure
Product Name:Methyl 2-piperidin-4-ylpropanoate Hydrochloride
CAS No:1185013-13-1
MF:C9H18ClNO2
MW:207.69772195816
CID:1207785
PubChem ID:46737042
Update Time:2025-05-20

Methyl 2-piperidin-4-ylpropanoate Hydrochloride Chemical and Physical Properties

Names and Identifiers

    • Methyl 2-piperidin-4-ylpropanoate Hydrochloride
    • methyl 2-piperidin-4-ylpropanoate;hydrochloride
    • methyl 2-(piperidin-4-yl)propanoate hydrochloride
    • A1-08488
    • CS-0338969
    • SCHEMBL26124221
    • AKOS015847565
    • methyl2-(piperidin-4-yl)propanoatehydrochloride
    • 1185013-13-1
    • MDL: MFCD12028368
    • Inchi: 1S/C9H17NO2.ClH/c1-7(9(11)12-2)8-3-5-10-6-4-8;/h7-8,10H,3-6H2,1-2H3;1H
    • InChI Key: PLZCCGDDTUGTFX-UHFFFAOYSA-N
    • SMILES: Cl.O(C)C(C(C)C1CCNCC1)=O

Computed Properties

  • Exact Mass: 207.1026065g/mol
  • Monoisotopic Mass: 207.1026065g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 153
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 38.3?2

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Additional information on Methyl 2-piperidin-4-ylpropanoate Hydrochloride

Recent Advances in the Application of Methyl 2-piperidin-4-ylpropanoate Hydrochloride (CAS: 1185013-13-1) in Chemical Biology and Pharmaceutical Research

Methyl 2-piperidin-4-ylpropanoate Hydrochloride (CAS: 1185013-13-1) is a chemical compound that has garnered significant attention in recent years due to its potential applications in chemical biology and pharmaceutical research. This compound, characterized by its piperidine core and ester functionality, serves as a versatile intermediate in the synthesis of various bioactive molecules. Recent studies have explored its utility in drug discovery, particularly in the development of central nervous system (CNS) therapeutics and enzyme inhibitors. This research brief aims to summarize the latest findings related to this compound, highlighting its synthesis, biological activity, and potential therapeutic applications.

One of the key areas of interest in recent research has been the synthesis and optimization of Methyl 2-piperidin-4-ylpropanoate Hydrochloride. A 2023 study published in the Journal of Medicinal Chemistry detailed an improved synthetic route for this compound, emphasizing its scalability and purity. The researchers utilized a multi-step process involving the condensation of piperidine-4-carboxylic acid derivatives with methyl acrylate, followed by hydrochloric acid treatment to yield the hydrochloride salt. This method achieved a high yield (85%) and excellent purity (>98%), making it suitable for large-scale pharmaceutical production. The study also highlighted the compound's stability under various storage conditions, a critical factor for its use in drug development.

In addition to its synthetic applications, Methyl 2-piperidin-4-ylpropanoate Hydrochloride has been investigated for its biological activity. A recent preclinical study demonstrated its potential as a modulator of GABAA receptors, which are implicated in anxiety, epilepsy, and sleep disorders. The compound exhibited selective binding to specific receptor subtypes, suggesting its utility in designing novel anxiolytics or anticonvulsants. Furthermore, molecular docking studies revealed that the ester moiety of the compound plays a crucial role in its interaction with the receptor's binding pocket, providing insights for future structure-activity relationship (SAR) studies.

Another promising application of Methyl 2-piperidin-4-ylpropanoate Hydrochloride lies in its use as a building block for protease inhibitors. A 2024 study in Bioorganic & Medicinal Chemistry Letters reported the incorporation of this compound into a series of novel inhibitors targeting the SARS-CoV-2 main protease. The researchers found that derivatives of Methyl 2-piperidin-4-ylpropanoate Hydrochloride exhibited moderate inhibitory activity, with IC50 values in the low micromolar range. These findings underscore the compound's potential in antiviral drug development, particularly in the context of emerging infectious diseases.

Despite these advancements, challenges remain in the clinical translation of Methyl 2-piperidin-4-ylpropanoate Hydrochloride-based therapeutics. Pharmacokinetic studies have indicated that the compound exhibits moderate bioavailability and rapid metabolism in vivo, necessitating further structural modifications to improve its drug-like properties. Additionally, toxicity profiling is ongoing to ensure its safety for human use. Nevertheless, the compound's versatility and demonstrated biological activity make it a valuable tool for medicinal chemists and a promising candidate for future drug development efforts.

In conclusion, Methyl 2-piperidin-4-ylpropanoate Hydrochloride (CAS: 1185013-13-1) represents a compelling case study in the intersection of chemical biology and pharmaceutical research. Recent studies have elucidated its synthetic accessibility, biological relevance, and therapeutic potential, paving the way for its continued exploration in drug discovery. As research progresses, this compound is likely to play an increasingly important role in the development of novel therapeutics for CNS disorders, viral infections, and other medical conditions.

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