Cas no 208398-34-9 (4-(Piperidin-4-ylamino)benzonitrile)

4-(Piperidin-4-ylamino)benzonitrile structure
208398-34-9 structure
Product Name:4-(Piperidin-4-ylamino)benzonitrile
CAS No:208398-34-9
MF:C12H15N3
MW:201.267602205276
MDL:MFCD11870084
CID:3165981
PubChem ID:18538541
Update Time:2025-07-20

4-(Piperidin-4-ylamino)benzonitrile Chemical and Physical Properties

Names and Identifiers

    • AKOS009625977
    • 4-(Piperidin-4-ylamino)-benzonitrile
    • SCHEMBL377685
    • 4-(piperidin-4-ylamino)benzonitrile
    • 208398-34-9
    • 4-(Piperidin-4-ylamino)benzonitrile
    • MDL: MFCD11870084
    • Inchi: 1S/C12H15N3/c13-9-10-1-3-11(4-2-10)15-12-5-7-14-8-6-12/h1-4,12,14-15H,5-8H2
    • InChI Key: CFMWPCOTSHAYHP-UHFFFAOYSA-N
    • SMILES: N1CCC(CC1)NC1C=CC(C#N)=CC=1

Computed Properties

  • Exact Mass: 201.126597491Da
  • Monoisotopic Mass: 201.126597491Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 228
  • 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: 1.7
  • Topological Polar Surface Area: 47.9?2

4-(Piperidin-4-ylamino)benzonitrile Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
eNovation Chemicals LLC
Y0978616-5g
4-(piperidin-4-ylamino)benzonitrile
208398-34-9 95%
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$960 2024-08-02
eNovation Chemicals LLC
Y0978616-5g
4-(piperidin-4-ylamino)benzonitrile
208398-34-9 95%
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eNovation Chemicals LLC
Y0978616-5g
4-(piperidin-4-ylamino)benzonitrile
208398-34-9 95%
5g
$960 2025-02-28

Additional information on 4-(Piperidin-4-ylamino)benzonitrile

Comprehensive Overview of 4-(Piperidin-4-ylamino)benzonitrile (CAS No. 208398-34-9): Properties, Applications, and Research Insights

4-(Piperidin-4-ylamino)benzonitrile (CAS No. 208398-34-9) is a specialized organic compound that has garnered significant attention in pharmaceutical and chemical research due to its unique structural features and potential applications. This piperidine derivative combines a benzonitrile moiety with a piperidin-4-ylamino group, making it a valuable intermediate in drug discovery and material science. Its molecular formula, C12H15N3, and molecular weight of 201.27 g/mol reflect its compact yet functionally rich architecture.

In recent years, the demand for nitrile-containing compounds like 4-(Piperidin-4-ylamino)benzonitrile has surged, driven by their versatility in synthesizing heterocyclic pharmaceuticals. Researchers frequently explore its role in modulating kinase inhibitors and G-protein-coupled receptor (GPCR) targets, aligning with trends in precision medicine. The compound’s hydrogen-bonding capacity and lipophilic efficiency make it a candidate for optimizing drug bioavailability, a hot topic in ADMET (Absorption, Distribution, Metabolism, Excretion, Toxicity) studies.

Synthetic routes to CAS 208398-34-9 often involve nucleophilic aromatic substitution or reductive amination strategies, with yields optimized through microwave-assisted synthesis—a technique gaining traction for its eco-friendly and time-efficient profile. Analytical characterization typically employs HPLC, NMR spectroscopy, and mass spectrometry, ensuring high purity for research applications. Notably, its melting point (reported ~150–155°C) and solubility profile (moderate in polar solvents like DMSO) are critical for formulation scientists.

Beyond pharmaceuticals, 4-(Piperidin-4-ylamino)benzonitrile intersects with agrochemical innovation, where its scaffold contributes to designing novel pest control agents. This dual applicability resonates with the growing emphasis on sustainable chemistry and green synthesis, topics dominating academic and industrial discourse. Patent literature reveals its utility in crop protection formulations, addressing global food security challenges—a key concern in 2024.

From a commercial perspective, suppliers of CAS 208398-34-9 highlight its use in high-throughput screening libraries, catering to AI-driven drug discovery platforms. The compound’s structure-activity relationship (SAR) data is often leveraged in machine learning models to predict bioactivity, a synergy between wet-lab and computational chemistry that’s revolutionizing R&D. FAQs from researchers frequently inquire about its stability under physiological conditions and compatibility with click chemistry protocols.

Regulatory compliance for 208398-34-9 adheres to REACH and FDA guidelines, with no current restrictions, facilitating its global trade. Storage recommendations emphasize protection from moisture and light, with standard room temperature conditions. Safety data sheets (SDS) classify it as non-hazardous under normal handling, though standard PPE (personal protective equipment) is advised—a detail often queried by laboratory personnel.

In conclusion, 4-(Piperidin-4-ylamino)benzonitrile exemplifies the intersection of medicinal chemistry and industrial innovation. Its adaptability across therapeutic and agricultural domains, coupled with advancements in computational drug design, positions it as a compound of enduring relevance. Future research may explore its catalytic applications or polymeric material integrations, further expanding its scientific footprint.

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