Cas no 861071-98-9 (1-Ethyl-piperidine-3-carboxylic acid)

1-Ethyl-piperidine-3-carboxylic acid is a substituted piperidine derivative with a carboxylic acid functional group at the 3-position and an ethyl substituent on the nitrogen atom. This compound serves as a versatile intermediate in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. Its rigid piperidine scaffold enhances structural diversity, while the carboxylic acid group allows for further derivatization through amidation, esterification, or other coupling reactions. The ethyl group on the nitrogen can influence steric and electronic properties, making it useful in modulating biological activity. The compound is typically characterized by its high purity and stability, ensuring reliable performance in synthetic applications.
1-Ethyl-piperidine-3-carboxylic acid structure
861071-98-9 structure
Product Name:1-Ethyl-piperidine-3-carboxylic acid
CAS No:861071-98-9
MF:C8H15NO2
MW:157.210202455521
MDL:MFCD08059311
CID:718233
PubChem ID:22056640
Update Time:2025-06-08

1-Ethyl-piperidine-3-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 1-Ethylpiperidine-3-carboxylic acid
    • 1-Ethyl-piperidine-3-carboxylic acid
    • 3-Piperidinecarboxylicacid, 1-ethyl-
    • 3-Piperidinecarboxylicacid,1-ethyl
    • 861071-98-9
    • MFCD08059311
    • LS-09364
    • CS-0342172
    • 1-ETHYL-PIPERIDINE-3-CARBOXYLICACID
    • FT-0681759
    • 1-ethylpiperidine-3-carboxylicacid
    • SB39112
    • AKOS000111525
    • DTXSID90622098
    • AKOS016341095
    • EN300-58435
    • A863306
    • BB 0220141
    • SCHEMBL740141
    • AB01003849-01
    • ALBB-027326
    • 2165382-03-4
    • (3S)-1-ethylpiperidine-3-carboxylic acid
    • 3-Piperidinecarboxylic acid, 1-ethyl-
    • DB-076555
    • MDL: MFCD08059311
    • Inchi: 1S/C8H15NO2/c1-2-9-5-3-4-7(6-9)8(10)11/h7H,2-6H2,1H3,(H,10,11)
    • InChI Key: AUAARCSKNLPQTM-UHFFFAOYSA-N
    • SMILES: OC(C1CN(CC)CCC1)=O

Computed Properties

  • Exact Mass: 157.11000
  • Monoisotopic Mass: 157.110278721g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 147
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -1.6
  • Topological Polar Surface Area: 40.5?2

Experimental Properties

  • PSA: 40.54000
  • LogP: 0.74080

1-Ethyl-piperidine-3-carboxylic acid Security Information

  • HazardClass:IRRITANT

1-Ethyl-piperidine-3-carboxylic acid Customs Data

  • HS CODE:2933399090
  • Customs Data:

    China Customs Code:

    2933399090

    Overview:

    2933399090. Other compounds with non fused pyridine rings in structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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Additional information on 1-Ethyl-piperidine-3-carboxylic acid

Research Briefing on 1-Ethyl-piperidine-3-carboxylic acid (CAS: 861071-98-9) in Chemical Biology and Pharmaceutical Applications

1-Ethyl-piperidine-3-carboxylic acid (CAS: 861071-98-9) is a piperidine derivative that has garnered significant attention in recent years due to its potential applications in medicinal chemistry and drug discovery. This compound, characterized by its unique structural features, serves as a versatile building block for the synthesis of pharmacologically active molecules. Recent studies have explored its utility in the development of novel therapeutics targeting a range of diseases, including neurological disorders, infectious diseases, and cancer. This briefing provides an overview of the latest research findings related to this compound, highlighting its synthesis, biological activity, and potential therapeutic applications.

The synthesis of 1-Ethyl-piperidine-3-carboxylic acid has been optimized in several recent studies to improve yield and purity. A 2023 publication in the Journal of Medicinal Chemistry detailed a novel catalytic method for its preparation, which employs palladium-catalyzed C-H activation to streamline the synthetic route. This advancement not only enhances the scalability of the compound but also reduces the environmental impact of its production. Furthermore, the study demonstrated that the ethyl substitution at the piperidine ring significantly influences the compound's conformational flexibility, which is critical for its interactions with biological targets.

In terms of biological activity, 1-Ethyl-piperidine-3-carboxylic acid has shown promising results as a scaffold for the design of enzyme inhibitors. A recent study published in Bioorganic & Medicinal Chemistry Letters reported its incorporation into a series of inhibitors targeting the SARS-CoV-2 main protease. The researchers found that derivatives of this compound exhibited moderate inhibitory activity, with IC50 values in the low micromolar range. Molecular docking studies revealed that the carboxylic acid moiety plays a key role in binding to the protease active site, suggesting potential for further optimization to enhance potency.

Another area of interest is the compound's application in central nervous system (CNS) drug discovery. A 2022 study in ACS Chemical Neuroscience explored its use as a precursor for the synthesis of gamma-aminobutyric acid (GABA) receptor modulators. The researchers synthesized a library of analogs and evaluated their effects on GABAergic neurotransmission. Several analogs demonstrated significant modulation of receptor activity, with one derivative showing potential as a lead compound for the treatment of anxiety disorders. These findings underscore the versatility of 1-Ethyl-piperidine-3-carboxylic acid as a scaffold for CNS-targeted therapeutics.

Beyond its direct pharmacological applications, 1-Ethyl-piperidine-3-carboxylic acid has also been investigated for its role in prodrug design. A 2023 study in the European Journal of Pharmaceutical Sciences highlighted its use in improving the bioavailability of poorly soluble drugs. By conjugating the compound to a hydrophobic drug molecule, the researchers achieved enhanced solubility and controlled release properties. This approach holds promise for the development of next-generation prodrugs with improved pharmacokinetic profiles.

In conclusion, 1-Ethyl-piperidine-3-carboxylic acid (CAS: 861071-98-9) represents a valuable tool in the arsenal of medicinal chemists. Its synthetic accessibility, structural versatility, and demonstrated biological activity make it a compelling candidate for further research. Future studies should focus on optimizing its derivatives for specific therapeutic targets and exploring its potential in combination therapies. As the field of chemical biology continues to evolve, this compound is likely to play an increasingly important role in the discovery and development of novel pharmaceuticals.

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