Cas no 882035-12-3 (4-(cyclopropylmethyl)piperidine-4-carbonitrile)

4-(Cyclopropylmethyl)piperidine-4-carbonitrile is a versatile intermediate in organic synthesis, characterized by its cyclopropylmethyl and nitrile functional groups. The compound’s rigid cyclopropyl moiety enhances stereochemical control in reactions, while the nitrile group offers reactivity for further derivatization, such as hydrolysis or reduction. Its piperidine scaffold is valuable for constructing pharmacologically active molecules, particularly in medicinal chemistry for CNS-targeting compounds. The structural features of this compound make it suitable for applications in drug discovery and agrochemical research, where precise molecular frameworks are critical. High purity and stability under standard conditions ensure consistent performance in synthetic workflows.
4-(cyclopropylmethyl)piperidine-4-carbonitrile structure
882035-12-3 structure
Product Name:4-(cyclopropylmethyl)piperidine-4-carbonitrile
CAS No:882035-12-3
MF:C10H16N2
MW:164.247442245483
CID:4286443
PubChem ID:59428187
Update Time:2025-10-28

4-(cyclopropylmethyl)piperidine-4-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 4-Piperidinecarbonitrile, 4-(cyclopropylmethyl)-
    • 4-(cyclopropylmethyl)-4-Piperidinecarbonitrile
    • 4-(cyclopropylmethyl)piperidine-4-carbonitrile
    • 4-cyano-4-cyclopropylmethylpiperidine
    • 882035-12-3
    • SCHEMBL1817867
    • DA-01664
    • NSGDMHYEPXJIDG-UHFFFAOYSA-N
    • Inchi: 1S/C10H16N2/c11-8-10(7-9-1-2-9)3-5-12-6-4-10/h9,12H,1-7H2
    • InChI Key: NSGDMHYEPXJIDG-UHFFFAOYSA-N
    • SMILES: N1CCC(CC2CC2)(C#N)CC1

Computed Properties

  • Exact Mass: 164.131348519Da
  • Monoisotopic Mass: 164.131348519Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 203
  • 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: 1.3
  • Topological Polar Surface Area: 35.8?2

4-(cyclopropylmethyl)piperidine-4-carbonitrile Pricemore >>

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Additional information on 4-(cyclopropylmethyl)piperidine-4-carbonitrile

Recent Advances in the Study of 4-(Cyclopropylmethyl)piperidine-4-carbonitrile (CAS: 882035-12-3)

4-(Cyclopropylmethyl)piperidine-4-carbonitrile (CAS: 882035-12-3) is a chemical compound of significant interest in the field of medicinal chemistry and drug discovery. Recent studies have highlighted its potential as a key intermediate or active pharmaceutical ingredient (API) in the development of novel therapeutics. This research briefing aims to provide an overview of the latest findings related to this compound, focusing on its synthesis, pharmacological properties, and potential applications in treating various diseases.

One of the most notable advancements in the study of 4-(cyclopropylmethyl)piperidine-4-carbonitrile is its role in the synthesis of selective serotonin reuptake inhibitors (SSRIs) and other central nervous system (CNS) targeting drugs. Researchers have demonstrated that this compound can serve as a versatile building block for the development of molecules with improved blood-brain barrier permeability and enhanced receptor binding affinity. A recent study published in the Journal of Medicinal Chemistry detailed a novel synthetic route for this compound, optimizing yield and purity while reducing the environmental impact of the production process.

In addition to its applications in CNS drug development, 4-(cyclopropylmethyl)piperidine-4-carbonitrile has shown promise in oncology research. Preliminary in vitro studies have indicated that derivatives of this compound exhibit potent inhibitory effects on specific kinase enzymes involved in cancer cell proliferation. These findings suggest potential applications in targeted cancer therapies, particularly for tumors with known kinase mutations. However, further in vivo studies are required to validate these effects and assess the compound's safety profile.

The pharmacological characterization of 4-(cyclopropylmethyl)piperidine-4-carbonitrile has also revealed interesting metabolic properties. Recent pharmacokinetic studies have demonstrated favorable absorption and distribution characteristics, with particular attention to its stability in various physiological conditions. These properties make it an attractive candidate for further drug development, though researchers note the need for additional studies to fully understand its metabolism and potential drug-drug interactions.

From a structural perspective, computational chemistry approaches have been employed to analyze the molecular interactions of 4-(cyclopropylmethyl)piperidine-4-carbonitrile with various biological targets. Molecular docking simulations have provided insights into the compound's binding modes, which could inform the design of more potent and selective derivatives. These computational studies complement experimental findings and contribute to a more comprehensive understanding of the compound's structure-activity relationships.

Looking forward, the research community anticipates several directions for further investigation of 4-(cyclopropylmethyl)piperidine-4-carbonitrile. These include expanded toxicology studies, formulation development for improved bioavailability, and exploration of its potential in combination therapies. As the compound continues to show promise across multiple therapeutic areas, it represents an important focus for ongoing research in chemical biology and pharmaceutical development.

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