Cas no 125541-12-0 (1,4'-Bipiperidine-1'-carbonyl-1'-carboxylic Acid tert-Butyl Ester)

1,4'-Bipiperidine-1'-carbonyl-1'-carboxylic Acid tert-Butyl Ester is a bifunctional piperidine derivative widely used as an intermediate in organic synthesis and pharmaceutical research. The tert-butyl ester group enhances stability, facilitating handling and storage, while the bipiperidine scaffold offers versatility for further functionalization. Its carbonyl and carboxylic acid moieties provide reactive sites for amide bond formation or other derivatization reactions, making it valuable in medicinal chemistry for constructing complex molecules. The compound’s well-defined structure and purity ensure reproducibility in synthetic applications. Its balanced lipophilicity and solubility properties further contribute to its utility in drug discovery and development processes.
1,4'-Bipiperidine-1'-carbonyl-1'-carboxylic Acid tert-Butyl Ester structure
125541-12-0 structure
Product Name:1,4'-Bipiperidine-1'-carbonyl-1'-carboxylic Acid tert-Butyl Ester
CAS No:125541-12-0
MF:C15H28N2O2
MW:268.395024299622
CID:103538
PubChem ID:14571191
Update Time:2025-05-25

1,4'-Bipiperidine-1'-carbonyl-1'-carboxylic Acid tert-Butyl Ester Chemical and Physical Properties

Names and Identifiers

    • [1,4'-Bipiperidine]-1'-carboxylicacid, 1,1-dimethylethyl ester
    • [1,4'-Bipiperidine]-1'-carbonyl-1'-carboxylic Acid tert-Butyl Ester
    • TERT-BUTYL 1,4'-BIPIPERIDINE-1'-CARBOXYLATE
    • tert-butyl 4-piperidin-1-ylpiperidine-1-carboxylate
    • C-4410
    • tert-butyl 4-(piperidin-1-yl)piperidine-1-carboxylate
    • [1,4''-Bipiperidine]-1''-carboxylic acid 1,1-dimethylethylester
    • [1,4'-Bipiperidine]-1'-carboxylic acid 1,1-dimethylethyl ester
    • 125541-12-0
    • [1,4'-Bipiperidine]-1'-carbonyl-1'-carboxylicAcidtert-ButylEster
    • DTXSID70561794
    • TS-03512
    • tert-Butyl [1,4'-bipiperidine]-1'-carboxylate
    • CS-0338254
    • 4-(1-piperidinyl)-1-piperidinecarboxylic acid tert-butyl ester
    • AKOS013099822
    • ZOUFAXNJXMEHBE-UHFFFAOYSA-N
    • 1'-tert-Butoxycarbonyl-[1,4']-Bipiperidine
    • A811282
    • SCHEMBL5514832
    • FT-0768606
    • DB-002006
    • 1,4'-Bipiperidinyl-1'-carboxylic acid tert-butyl ester
    • 1,4'-Bipiperidine-1'-carbonyl-1'-carboxylic Acid tert-Butyl Ester
    • MDL: MFCD07779459
    • Inchi: 1S/C15H28N2O2/c1-15(2,3)19-14(18)17-11-7-13(8-12-17)16-9-5-4-6-10-16/h13H,4-12H2,1-3H3
    • InChI Key: ZOUFAXNJXMEHBE-UHFFFAOYSA-N
    • SMILES: O(C(C)(C)C)C(N1CCC(CC1)N1CCCCC1)=O

Computed Properties

  • Exact Mass: 268.21500
  • Monoisotopic Mass: 268.215078140g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 4
  • Complexity: 298
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 2.5
  • Topological Polar Surface Area: 32.8?2

Experimental Properties

  • PSA: 32.78000
  • LogP: 2.74760

1,4'-Bipiperidine-1'-carbonyl-1'-carboxylic Acid tert-Butyl 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%

1,4'-Bipiperidine-1'-carbonyl-1'-carboxylic Acid tert-Butyl Ester Pricemore >>

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Additional information on 1,4'-Bipiperidine-1'-carbonyl-1'-carboxylic Acid tert-Butyl Ester

Recent Advances in the Application of 1,4'-Bipiperidine-1'-carbonyl-1'-carboxylic Acid tert-Butyl Ester (CAS: 125541-12-0) in Chemical Biology and Pharmaceutical Research

The compound 1,4'-Bipiperidine-1'-carbonyl-1'-carboxylic Acid tert-Butyl Ester (CAS: 125541-12-0) has recently garnered significant attention in the field of chemical biology and pharmaceutical research due to its versatile applications as a key intermediate in the synthesis of bioactive molecules. This research brief aims to summarize the latest findings and developments related to this compound, highlighting its role in drug discovery and medicinal chemistry.

Recent studies have demonstrated the utility of 1,4'-Bipiperidine-1'-carbonyl-1'-carboxylic Acid tert-Butyl Ester as a building block for the synthesis of novel piperidine-based scaffolds. These scaffolds are of particular interest due to their presence in a wide range of pharmacologically active compounds, including antipsychotics, analgesics, and anticancer agents. The tert-butyl ester moiety in this compound provides enhanced stability and solubility, making it a preferred choice for synthetic applications.

In a 2023 study published in the Journal of Medicinal Chemistry, researchers utilized 1,4'-Bipiperidine-1'-carbonyl-1'-carboxylic Acid tert-Butyl Ester as a precursor for the development of selective dopamine receptor modulators. The study reported improved binding affinity and selectivity profiles compared to previous analogs, underscoring the compound's potential in central nervous system (CNS) drug development. The researchers employed a combination of molecular docking and structure-activity relationship (SAR) studies to optimize the final compounds.

Another significant application of this compound was reported in the field of anticancer drug discovery. A recent preprint on bioRxiv described its use in the synthesis of novel histone deacetylase (HDAC) inhibitors. The bipiperidine core was found to confer improved pharmacokinetic properties, including enhanced blood-brain barrier penetration, which is crucial for targeting glioblastoma and other CNS malignancies. The study highlighted the compound's role in achieving balanced potency and safety profiles in preclinical models.

From a synthetic chemistry perspective, advancements in the scalable production of 1,4'-Bipiperidine-1'-carbonyl-1'-carboxylic Acid tert-Butyl Ester have been reported. A 2024 patent application disclosed an optimized catalytic process that reduces byproduct formation and improves yield by 30-40%. This development is particularly relevant for industrial-scale pharmaceutical manufacturing, where cost-effectiveness and reproducibility are critical considerations.

Looking ahead, researchers are exploring the potential of this compound in emerging areas such as targeted protein degradation (PROTACs) and covalent inhibitor design. Preliminary results suggest that the bipiperidine scaffold can serve as an effective linker in PROTAC molecules, offering advantages in terms of proteasome recruitment efficiency. These findings position 1,4'-Bipiperidine-1'-carbonyl-1'-carboxylic Acid tert-Butyl Ester as a valuable tool in next-generation therapeutic modalities.

In conclusion, the growing body of research on 1,4'-Bipiperidine-1'-carbonyl-1'-carboxylic Acid tert-Butyl Ester (CAS: 125541-12-0) underscores its importance as a versatile intermediate in medicinal chemistry. Its applications span multiple therapeutic areas, with recent studies demonstrating improvements in drug-like properties and synthetic accessibility. As research continues to evolve, this compound is likely to play an increasingly prominent role in the development of innovative pharmaceutical agents.

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