Cas no 37008-22-3 (1-Piperazinecarboxylicacid, propyl ester)

1-Piperazinecarboxylic acid, propyl ester, is a versatile chemical intermediate used in organic synthesis and pharmaceutical applications. Its structure combines a piperazine core with a propyl ester functional group, offering reactivity suitable for amidation, alkylation, and other derivatization processes. The compound is valued for its stability under standard conditions and its utility in constructing biologically active molecules, particularly in medicinal chemistry. Its ester group enhances solubility in organic solvents, facilitating further synthetic modifications. The product is typically supplied in high purity, ensuring consistent performance in research and industrial applications. Proper handling and storage are recommended to maintain its integrity.
1-Piperazinecarboxylicacid, propyl ester structure
37008-22-3 structure
Product Name:1-Piperazinecarboxylicacid, propyl ester
CAS No:37008-22-3
MF:C8H16N2O2
MW:172.224842071533
CID:296558
PubChem ID:22393735
Update Time:2025-10-30

1-Piperazinecarboxylicacid, propyl ester Chemical and Physical Properties

Names and Identifiers

    • 1-Piperazinecarboxylicacid, propyl ester
    • propyl piperazine-1-carboxylate
    • 1-(Propoxycarbonyl)piperazine
    • N-Carbopropoxypiperazine
    • N-Propoxycarbonylpiperazine
    • Propyl1-piperazinecarboxylate
    • SCHEMBL952311
    • FT-0741372
    • DTXSID60625410
    • piperazine-1-carboxylic acid propyl ester
    • 1-Piperazinecarboxylicacid,propylester(9CI)
    • 37008-22-3
    • EN300-768730
    • IGXBNWXKQPCCCJ-UHFFFAOYSA-N
    • 1-propoxycarbonylpiperazine
    • Inchi: 1S/C8H16N2O2/c1-2-7-12-8(11)10-5-3-9-4-6-10/h9H,2-7H2,1H3
    • InChI Key: IGXBNWXKQPCCCJ-UHFFFAOYSA-N
    • SMILES: O(CCC)C(N1CCNCC1)=O

Computed Properties

  • Exact Mass: 172.121177757g/mol
  • Monoisotopic Mass: 172.121177757g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 144
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.4
  • Topological Polar Surface Area: 41.6?2

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Additional information on 1-Piperazinecarboxylicacid, propyl ester

Introduction to 1-Piperazinecarboxylic acid, propyl ester (CAS No. 37008-22-3)

1-Piperazinecarboxylic acid, propyl ester, identified by the Chemical Abstracts Service Number (CAS No.) 37008-22-3, is a significant compound in the realm of pharmaceutical and biochemical research. This compound belongs to the piperazine derivative family, which is renowned for its versatile applications in medicinal chemistry. The structural motif of piperazine, featuring a six-membered ring containing two nitrogen atoms, imparts unique physicochemical properties that make it a valuable scaffold for drug design and development.

The propyl ester functionality attached to the carboxylic acid moiety of piperazine introduces additional reactivity and solubility characteristics, enhancing its utility in synthetic chemistry. This ester derivative has garnered attention due to its potential role as an intermediate in the synthesis of more complex molecules, particularly in the development of bioactive agents targeting neurological and inflammatory disorders.

Recent advancements in medicinal chemistry have highlighted the importance of piperazine derivatives in addressing unmet medical needs. The 1-Piperazinecarboxylic acid, propyl ester has been investigated for its pharmacological profile, showing promise as a precursor in the synthesis of novel therapeutic agents. Its structural flexibility allows for modifications that can fine-tune pharmacokinetic and pharmacodynamic properties, making it a cornerstone in drug discovery initiatives.

In the context of contemporary research, this compound has been explored in conjunction with other heterocyclic systems to develop molecules with enhanced binding affinity and selectivity. The nitrogen-rich environment of piperazine derivatives facilitates interactions with biological targets such as enzymes and receptors, which are critical for modulating cellular processes. The propyl ester group further contributes to these interactions by influencing the electronic distribution and steric environment around the nitrogen atoms.

One of the most compelling aspects of 1-Piperazinecarboxylic acid, propyl ester is its role in the synthesis of small-molecule inhibitors. These inhibitors are designed to disrupt pathogenic pathways by binding to specific targets with high precision. For instance, research has demonstrated its utility in generating compounds that exhibit inhibitory activity against enzymes involved in inflammatory responses. Such findings underscore the compound's significance in developing treatments for chronic inflammatory conditions.

The chemical synthesis of 1-Piperazinecarboxylic acid, propyl ester involves multi-step reactions that highlight its versatility as a building block. Key synthetic routes include nucleophilic substitution reactions and esterification processes, which are well-documented in organic chemistry literature. These methods ensure high yields and purity, making the compound readily available for further functionalization and application in drug development pipelines.

From a biochemical perspective, 1-Piperazinecarboxylic acid, propyl ester has been studied for its potential effects on neurotransmitter systems. Piperazine derivatives are known to interact with serotonin and dopamine receptors, which are implicated in mood regulation and cognitive function. The propyl ester modification may enhance these interactions by altering metabolic stability and membrane permeability. Such properties make this compound a candidate for exploring novel therapeutic strategies in neurology.

Moreover, the compound's solubility profile has been optimized through structural modifications aimed at improving bioavailability. This is crucial for pharmaceutical applications where oral or parenteral administration is desired. By fine-tuning the ester group's size and substituents, researchers can achieve desirable solubility characteristics while maintaining pharmacological efficacy.

Recent studies have also delved into the metabolic fate of 1-Piperazinecarboxylic acid, propyl ester, providing insights into its potential side effects and drug-drug interactions. Metabolic profiling using advanced analytical techniques such as liquid chromatography-mass spectrometry (LC-MS) has revealed key pathways involved in its biotransformation. These findings are essential for predicting clinical outcomes and designing safer drug candidates.

The compound's role in combinatorial chemistry has not been overlooked either. Its ability to serve as a versatile intermediate allows for the rapid assembly of libraries of diverse compounds for high-throughput screening (HTS). This approach accelerates the discovery process by enabling researchers to identify lead compounds with optimal pharmacological profiles efficiently.

In conclusion,1-Piperazinecarboxylic acid, propyl ester (CAS No. 37008-22-3) represents a valuable asset in modern drug discovery efforts. Its unique structural features and reactivity make it indispensable for synthesizing bioactive molecules targeting various diseases. As research continues to uncover new applications for this compound, its significance in pharmaceutical development is expected to grow further.

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