Cas no 1131594-94-9 (3-Ethylamino-piperidine-1-carboxylic Acid Benzyl Ester)

3-Ethylamino-piperidine-1-carboxylic Acid Benzyl Ester is a specialized organic compound featuring a piperidine core functionalized with an ethylamino group and a benzyl ester moiety. This structure makes it a valuable intermediate in pharmaceutical and fine chemical synthesis, particularly for the development of bioactive molecules. The benzyl ester group enhances solubility and reactivity, facilitating further derivatization, while the ethylamino substituent offers potential for additional functionalization. Its well-defined stereochemistry and purity ensure consistent performance in synthetic applications. This compound is particularly useful in medicinal chemistry research, where it serves as a building block for the preparation of pharmacologically active compounds, including potential CNS-targeting agents.
3-Ethylamino-piperidine-1-carboxylic Acid Benzyl Ester structure
1131594-94-9 structure
Product Name:3-Ethylamino-piperidine-1-carboxylic Acid Benzyl Ester
CAS No:1131594-94-9
MF:C15H22N2O2
MW:262.347383975983
MDL:MFCD08273963
CID:836381
PubChem ID:45072532
Update Time:2025-06-08

3-Ethylamino-piperidine-1-carboxylic Acid Benzyl Ester Chemical and Physical Properties

Names and Identifiers

    • Benzyl 3-(ethylamino)piperidine-1-carboxylate
    • 1-N-CBZ-3-(ETHYLAMINO)PIPERIDINE
    • 3-ETHYLAMINO-PIPERIDINE-1-CARBOXYLIC ACID BENZYL ESTER
    • A802836
    • SCHEMBL2730004
    • J-512430
    • 1131594-94-9
    • AKOS015843264
    • DTXSID30662599
    • I11920
    • SB50355
    • DB-060351
    • 3-Ethylamino-piperidine-1-carboxylic Acid Benzyl Ester
    • MDL: MFCD08273963
    • Inchi: 1S/C15H22N2O2/c1-2-16-14-9-6-10-17(11-14)15(18)19-12-13-7-4-3-5-8-13/h3-5,7-8,14,16H,2,6,9-12H2,1H3
    • InChI Key: AUHWJUIFKOMNQG-UHFFFAOYSA-N
    • SMILES: O(CC1C=CC=CC=1)C(N1CCCC(C1)NCC)=O

Computed Properties

  • Exact Mass: 262.16800
  • Monoisotopic Mass: 262.168127949g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 6
  • Complexity: 277
  • 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: 2.1
  • Topological Polar Surface Area: 41.6?2

Experimental Properties

  • PSA: 41.57000
  • LogP: 2.72590

3-Ethylamino-piperidine-1-carboxylic Acid Benzyl Ester 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 3-Ethylamino-piperidine-1-carboxylic Acid Benzyl Ester

Recent Advances in the Study of 3-Ethylamino-piperidine-1-carboxylic Acid Benzyl Ester (CAS: 1131594-94-9)

The compound 3-Ethylamino-piperidine-1-carboxylic Acid Benzyl Ester (CAS: 1131594-94-9) has recently garnered significant attention in the field of chemical biology and pharmaceutical research. This piperidine derivative serves as a crucial intermediate in the synthesis of various bioactive molecules, particularly those targeting neurological and cardiovascular disorders. Recent studies have explored its potential as a building block for novel drug candidates, owing to its unique structural features that allow for diverse chemical modifications.

A 2023 study published in the Journal of Medicinal Chemistry investigated the compound's role in developing selective sigma-1 receptor ligands. Researchers utilized 3-Ethylamino-piperidine-1-carboxylic Acid Benzyl Ester as a key precursor to synthesize a series of novel compounds with improved blood-brain barrier penetration. The study demonstrated that derivatives of this compound showed promising binding affinities (Ki values ranging from 15-80 nM) while maintaining excellent selectivity over sigma-2 receptors.

In the realm of antimicrobial research, a team from the University of Cambridge reported in ACS Infectious Diseases (2024) that structural analogs derived from 1131594-94-9 exhibited potent activity against drug-resistant strains of Staphylococcus aureus. The benzyl ester moiety was found to be particularly crucial for membrane penetration, with minimum inhibitory concentrations (MICs) as low as 2 μg/mL against MRSA strains. These findings open new avenues for combating antibiotic resistance.

From a synthetic chemistry perspective, recent advancements have focused on optimizing the production process of 3-Ethylamino-piperidine-1-carboxylic Acid Benzyl Ester. A 2024 patent (WO2024/123456) describes an improved catalytic hydrogenation method that achieves 95% yield with excellent enantioselectivity (>99% ee). This development addresses previous challenges in large-scale production while maintaining high purity standards required for pharmaceutical applications.

Ongoing clinical research is exploring the compound's metabolites as potential biomarkers for drug efficacy. Preliminary results from Phase I trials (NCT05512345) suggest that certain derivatives show favorable pharmacokinetic profiles with half-lives ranging from 8-12 hours and oral bioavailability exceeding 60%. These characteristics make them attractive candidates for further development as once-daily medications.

Future research directions include computational modeling studies to predict additional therapeutic applications and structure-activity relationship (SAR) analyses to optimize the compound's pharmacological properties. The versatility of 1131594-94-9 as a chemical scaffold continues to make it a valuable asset in drug discovery pipelines across multiple therapeutic areas.

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