Cas no 2580215-04-7 (Piperidine-4,4-dicarbonitrile hydrochloride)

Piperidine-4,4-dicarbonitrile hydrochloride is a versatile heterocyclic compound featuring a piperidine core substituted with two cyano groups at the 4-position, in its hydrochloride salt form. This structure imparts reactivity useful in organic synthesis, particularly as a building block for pharmaceuticals and agrochemicals. The dicarbonitrile moiety offers opportunities for further functionalization, while the hydrochloride salt enhances solubility and stability for handling. Its rigid framework and electron-withdrawing cyano groups make it valuable in the development of bioactive molecules, including potential enzyme inhibitors or ligands. The compound’s purity and well-defined properties ensure reproducibility in research and industrial applications.
Piperidine-4,4-dicarbonitrile hydrochloride structure
2580215-04-7 structure
Product Name:Piperidine-4,4-dicarbonitrile hydrochloride
CAS No:2580215-04-7
MF:C7H10ClN3
MW:171.627399921417
CID:5520760
PubChem ID:155858691
Update Time:2025-06-08

Piperidine-4,4-dicarbonitrile hydrochloride Chemical and Physical Properties

Names and Identifiers

    • 4,4-Piperidinedicarbonitrile, hydrochloride (1:1)
    • Piperidine-4,4-dicarbonitrile hydrochloride
    • CS-0376241
    • F83894
    • EN300-1605394
    • 2580215-04-7
    • Piperidine-4,4-dicarbonitrile;hydrochloride
    • Piperidine-4,4-dicarbonitrilehydrochloride
    • Inchi: 1S/C7H9N3.ClH/c8-5-7(6-9)1-3-10-4-2-7;/h10H,1-4H2;1H
    • InChI Key: YPTFDRHIFAUNKF-UHFFFAOYSA-N
    • SMILES: C(C1(CCNCC1)C#N)#N.Cl

Computed Properties

  • Exact Mass: 171.0563250g/mol
  • Monoisotopic Mass: 171.0563250g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 190
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 59.6?2

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Additional information on Piperidine-4,4-dicarbonitrile hydrochloride

Introduction to Piperidine-4,4-dicarbonitrile hydrochloride (CAS No. 2580215-04-7)

Piperidine-4,4-dicarbonitrile hydrochloride is a specialized organic compound that has garnered significant attention in the field of pharmaceutical and medicinal chemistry due to its unique structural and functional properties. With the CAS number 2580215-04-7, this compound represents a derivative of piperidine, featuring two nitrile groups at the 4-position, which imparts distinct reactivity and potential applications in drug development. The hydrochloride salt form enhances its solubility and stability, making it a valuable intermediate in synthetic chemistry.

The molecular structure of Piperidine-4,4-dicarbonitrile hydrochloride consists of a six-membered heterocyclic ring containing a nitrogen atom, substituted with two cyano groups at the 4-position and a hydrochloride counterion. This arrangement creates a highly versatile scaffold that can serve as a precursor for the synthesis of more complex molecules. The presence of the nitrile groups (-CN) makes it a reactive site for further functionalization, enabling chemists to introduce additional pharmacophores or modify existing ones.

In recent years, there has been growing interest in Piperidine-4,4-dicarbonitrile hydrochloride due to its potential role in the development of novel therapeutic agents. The piperidine core is a common motif in many bioactive molecules, particularly in drugs targeting central nervous system disorders, infectious diseases, and cancer. The nitrile groups provide opportunities for hydrogen bonding interactions with biological targets, enhancing binding affinity and efficacy.

One of the most compelling aspects of Piperidine-4,4-dicarbonitrile hydrochloride is its utility as a building block in medicinal chemistry. Researchers have leveraged its structural features to design inhibitors of enzymes such as kinases and proteases, which are often implicated in disease pathways. For instance, derivatives of this compound have been explored as potential treatments for oncological conditions, where precise modulation of enzyme activity is crucial for therapeutic success.

The synthesis of Piperidine-4,4-dicarbonitrile hydrochloride typically involves multi-step organic reactions starting from commercially available precursors. Common synthetic routes include cyclization reactions followed by cyanation to introduce the nitrile groups. The final step often involves salt formation with hydrochloric acid to improve handling properties. Advances in synthetic methodologies have enabled more efficient and scalable production processes, making this compound more accessible for research and development purposes.

Recent studies have highlighted the pharmacological significance of Piperidine-4,4-dicarbonitrile hydrochloride and its derivatives. For example, researchers have demonstrated its ability to modulate neurotransmitter receptors, offering potential applications in treating neurodegenerative diseases such as Alzheimer's and Parkinson's. Additionally, the compound has shown promise in antiviral research, where its structural features allow it to interact with viral proteases and inhibit replication.

The chemical properties of Piperidine-4,4-dicarbonitrile hydrochloride make it an attractive candidate for further exploration in drug discovery. Its ability to undergo various chemical transformations allows for the creation of diverse analogues with tailored biological activities. Computational modeling and high-throughput screening techniques have been employed to identify promising derivatives with enhanced potency and selectivity.

In conclusion,Piperidine-4,4-dicarbonitrile hydrochloride (CAS No. 2580215-04-7) represents a fascinating compound with significant potential in pharmaceutical research. Its unique structural features and reactivity make it a valuable tool for synthesizing novel therapeutic agents targeting various diseases. As our understanding of molecular interactions continues to evolve, compounds like this are poised to play a pivotal role in the next generation of medicines.

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