Cas no 39639-98-0 (1-(pyridine-2-carbonyl)piperazine)

1-(Pyridine-2-carbonyl)piperazine is a heterocyclic compound featuring a pyridine moiety linked to a piperazine ring via a carbonyl group. This structure imparts versatility in pharmaceutical and agrochemical applications, serving as a key intermediate in the synthesis of biologically active molecules. Its rigid pyridine core enhances binding affinity in receptor interactions, while the piperazine group offers flexibility for further functionalization. The compound exhibits favorable solubility and stability under standard conditions, facilitating its use in medicinal chemistry and drug discovery. Its well-defined reactivity profile makes it a valuable building block for constructing complex scaffolds, particularly in the development of kinase inhibitors and CNS-targeting agents.
1-(pyridine-2-carbonyl)piperazine structure
39639-98-0 structure
Product Name:1-(pyridine-2-carbonyl)piperazine
CAS No:39639-98-0
MF:C10H13N3O
MW:191.229721784592
MDL:MFCD08444693
CID:55063
PubChem ID:181639
Update Time:2025-11-06

1-(pyridine-2-carbonyl)piperazine Chemical and Physical Properties

Names and Identifiers

    • (PIPERAZIN-1-YL)(PYRIDIN-2-YL) METHANONE
    • (Pyridin-2-yl)(piperazin-1-yl)methanone
    • EGYT 1354
    • 1-(PYRIDIN-2-YLCARBONYL)PIPERAZINE
    • piperazin-1-yl(pyridin-2-yl)methanone
    • N-Picolinoyl-piperazin
    • piperazin-1-yl-pyridin-2-yl-methanone
    • 1-(pyridine-2-carbonyl)piperazine
    • SCHEMBL1088258
    • Methanone, 1-piperazinyl-2-pyridinyl-
    • DTXSID50960261
    • BB 0254207
    • GS3467
    • 39639-98-0
    • IULDWWUGMGLWOB-UHFFFAOYSA-N
    • picolinoyl-piperazine
    • piperazin-1-yl(2-pyridyl)methanone
    • MFCD08444693
    • 1-Piperazinyl(4-pyridinyl)methanone
    • A824665
    • BS-27982
    • FT-0690742
    • EN300-38975
    • F8889-7584
    • Piperazine, 1-(2-pyridinylcarbonyl)-
    • CS-0212992
    • N-(2'-PYRIDINECARBONYL)PIPERAZINE
    • AKOS000133471
    • (Piperazin-1-yl)(pyridin-2-yl)methanone
    • DA-06200
    • MDL: MFCD08444693
    • Inchi: 1S/C10H13N3O/c14-10(9-3-1-2-4-12-9)13-7-5-11-6-8-13/h1-4,11H,5-8H2
    • InChI Key: IULDWWUGMGLWOB-UHFFFAOYSA-N
    • SMILES: O=C(C1C=CC=CN=1)N1CCNCC1

Computed Properties

  • Exact Mass: 191.10600
  • Monoisotopic Mass: 191.105862
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 202
  • 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
  • Topological Polar Surface Area: 45.2
  • XLogP3: 0

Experimental Properties

  • Density: 1.167
  • Boiling Point: 369°C at 760 mmHg
  • Flash Point: 176.9°C
  • Refractive Index: 1.561
  • PSA: 45.23000
  • LogP: 0.39370

1-(pyridine-2-carbonyl)piperazine Customs Data

  • HS CODE:2933990090
  • Customs Data:

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. 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:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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1-(pyridine-2-carbonyl)piperazine Related Literature

Additional information on 1-(pyridine-2-carbonyl)piperazine

Comprehensive Overview of 1-(Pyridine-2-carbonyl)piperazine (CAS No. 39639-98-0): Properties, Applications, and Industry Insights

1-(Pyridine-2-carbonyl)piperazine (CAS No. 39639-98-0) is a specialized organic compound that has garnered significant attention in pharmaceutical and chemical research due to its unique structural features and versatile reactivity. This heterocyclic molecule combines a pyridine ring with a piperazine moiety through a carbonyl linkage, making it a valuable intermediate in drug discovery and material science. Its molecular formula, C10H11N3O, and molecular weight of 189.22 g/mol underscore its potential for precise applications in targeted synthesis.

In recent years, the demand for piperazine derivatives like 1-(Pyridine-2-carbonyl)piperazine has surged, driven by their role in developing central nervous system (CNS) therapeutics and antimicrobial agents. Researchers frequently explore its utility in modulating neurotransmitter receptors, particularly in the context of neurological disorders such as Parkinson’s disease and depression. The compound’s hydrogen-bonding capacity and lipophilic balance further enhance its pharmacokinetic profile, a topic widely searched in AI-driven drug design platforms.

The synthesis of CAS No. 39639-98-0 typically involves the acylation of piperazine with pyridine-2-carboxylic acid derivatives, a process optimized for high yield and purity. Analytical techniques such as HPLC, NMR spectroscopy, and mass spectrometry are critical for quality control, aligning with industry standards for pharmaceutical intermediates. These methodologies are frequently queried in academic and industrial forums, reflecting their relevance to green chemistry and sustainable synthesis trends.

Beyond pharmaceuticals, 1-(Pyridine-2-carbonyl)piperazine finds niche applications in agrochemicals and coordination chemistry. Its ability to act as a ligand for transition metals has spurred interest in catalysis and material science, particularly in the development of metal-organic frameworks (MOFs). This intersection of disciplines resonates with current searches on multi-functional chemicals and cross-industry innovations.

Regulatory and safety profiles of CAS No. 39639-98-0 adhere to global guidelines, with documented studies on its toxicological thresholds and environmental impact. Such data is crucial for compliance with REACH and FDA frameworks, topics highly prioritized by manufacturers and exporters. The compound’s stability under standard storage conditions (e.g., inert atmospheres, low humidity) further supports its commercial viability.

In conclusion, 1-(Pyridine-2-carbonyl)piperazine exemplifies the convergence of medicinal chemistry and industrial applications. Its adaptability to high-throughput screening and computational modeling positions it at the forefront of modern research, addressing queries on structure-activity relationships (SAR) and fragment-based drug discovery. As innovation accelerates, this compound is poised to remain a focal point in scientific and commercial discourse.

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