Cas no 74045-89-9 (1-Butyl-piperidine-4-carboxylic Acid ethyl ester)

1-Butyl-piperidine-4-carboxylic Acid ethyl ester is a versatile intermediate in organic synthesis, particularly valued for its piperidine core and ester functionality. The compound's structural features make it suitable for applications in pharmaceutical and agrochemical research, where it can serve as a precursor for bioactive molecules. The butyl group enhances lipophilicity, potentially improving membrane permeability in drug development. Its ethyl ester moiety offers reactivity for further derivatization, such as hydrolysis or transesterification. The compound is typically handled under standard laboratory conditions, ensuring ease of use in synthetic workflows. Its stability and well-defined reactivity profile contribute to its utility in medicinal chemistry and material science applications.
1-Butyl-piperidine-4-carboxylic Acid ethyl ester structure
74045-89-9 structure
Product Name:1-Butyl-piperidine-4-carboxylic Acid ethyl ester
CAS No:74045-89-9
MF:C12H23NO2
MW:213.316523790359
MDL:MFCD16152773
CID:3168201
PubChem ID:9990801
Update Time:2025-10-28

1-Butyl-piperidine-4-carboxylic Acid ethyl ester Chemical and Physical Properties

Names and Identifiers

    • 1-Butyl-piperidine-4-carboxylic Acid ethyl ester
    • AKOS006038696
    • MFCD16152773
    • SCHEMBL6950591
    • Ethyl1-butylpiperidine-4-carboxylate
    • Ethyl 1-butylpiperidine-4-carboxylate
    • AS-5376
    • SCHEMBL9340329
    • UJPGQLOTFJLIKE-UHFFFAOYSA-N
    • 74045-89-9
    • ethyl 1-n-butylisonipecotate
    • CS-0322504
    • MDL: MFCD16152773
    • Inchi: 1S/C12H23NO2/c1-3-5-8-13-9-6-11(7-10-13)12(14)15-4-2/h11H,3-10H2,1-2H3
    • InChI Key: UJPGQLOTFJLIKE-UHFFFAOYSA-N
    • SMILES: O(CC)C(C1CCN(CCCC)CC1)=O

Computed Properties

  • Exact Mass: 213.172878976Da
  • Monoisotopic Mass: 213.172878976Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 6
  • Complexity: 186
  • 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: 2.2
  • Topological Polar Surface Area: 29.5?2

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Additional information on 1-Butyl-piperidine-4-carboxylic Acid ethyl ester

1-Butyl-piperidine-4-carboxylic Acid Ethyl Ester (CAS No. 74045-89-9): An Overview of Its Properties and Applications

1-Butyl-piperidine-4-carboxylic acid ethyl ester (CAS No. 74045-89-9) is a versatile compound that has garnered significant attention in the fields of medicinal chemistry and pharmaceutical research. This compound, characterized by its unique structural features, has shown promise in various applications, including as an intermediate in the synthesis of bioactive molecules and as a potential therapeutic agent.

The chemical structure of 1-Butyl-piperidine-4-carboxylic acid ethyl ester consists of a piperidine ring substituted with a butyl group at the 1-position and an ethyl ester group at the 4-position. This combination of functional groups imparts distinct chemical and physical properties to the molecule, making it a valuable building block in organic synthesis.

In recent years, the study of 1-Butyl-piperidine-4-carboxylic acid ethyl ester has been enriched by advancements in computational chemistry and molecular modeling. These tools have enabled researchers to gain deeper insights into the conformational flexibility and electronic properties of the compound, which are crucial for understanding its reactivity and biological activity.

One of the key applications of 1-Butyl-piperidine-4-carboxylic acid ethyl ester is in the synthesis of piperidine-based bioactive compounds. Piperidines are a class of nitrogen-containing heterocycles that are widely found in natural products and synthetic drugs. They are known for their diverse biological activities, including anti-inflammatory, analgesic, and neuroprotective effects. The presence of the butyl and ethyl ester groups in 1-Butyl-piperidine-4-carboxylic acid ethyl ester provides additional points for functionalization, allowing for the creation of a wide range of derivatives with tailored properties.

In the context of drug discovery, 1-Butyl-piperidine-4-carboxylic acid ethyl ester has been explored as a potential lead compound for the development of new therapeutic agents. For instance, recent studies have investigated its use as an intermediate in the synthesis of compounds targeting specific receptors or enzymes involved in various diseases. One notable example is its application in the development of selective serotonin reuptake inhibitors (SSRIs), which are widely used to treat depression and anxiety disorders.

The pharmacological profile of 1-Butyl-piperidine-4-carboxylic acid ethyl ester has also been studied in preclinical models. In vitro assays have demonstrated its ability to modulate various biological pathways, including those involved in neurotransmitter release and receptor signaling. These findings suggest that the compound may have therapeutic potential in neurological disorders such as Alzheimer's disease and Parkinson's disease.

Beyond its pharmaceutical applications, 1-Butyl-piperidine-4-carboxylic acid ethyl ester has found use in other areas of chemistry and materials science. Its unique structural features make it suitable for incorporation into polymers and other advanced materials, where it can contribute to improved mechanical properties or enhanced functional performance.

In conclusion, 1-Butyl-piperidine-4-carboxylic acid ethyl ester (CAS No. 74045-89-9) is a multifaceted compound with a wide range of applications in medicinal chemistry, pharmaceutical research, and materials science. Its structural versatility and biological activity make it a valuable tool for scientists seeking to develop new drugs or advanced materials. As research continues to advance, it is likely that new applications for this compound will be discovered, further expanding its utility in various scientific disciplines.

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