Cas no 84951-44-0 (2-(piperazin-1-yl)pyridine-3-carbonitrile)

2-(piperazin-1-yl)pyridine-3-carbonitrile is a synthetic organic compound with significant potential in medicinal chemistry. This compound features a piperazine ring and a pyridine-3-carbonitrile core, offering versatility in drug design. Its structural features confer notable advantages, including improved solubility and potential for enhanced drug-target interactions, making it a valuable intermediate in the synthesis of novel pharmaceuticals.
2-(piperazin-1-yl)pyridine-3-carbonitrile structure
84951-44-0 structure
Product Name:2-(piperazin-1-yl)pyridine-3-carbonitrile
CAS No:84951-44-0
MF:C10H12N4
MW:188.22908115387
MDL:MFCD00190248
CID:720251
PubChem ID:2737203
Update Time:2025-07-21

2-(piperazin-1-yl)pyridine-3-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 3-Pyridinecarbonitrile,2-(1-piperazinyl)-
    • 2-Piperazinonicotinonitrile
    • 2-(piperazin-1-yl)pyridine-3-carbonitrile
    • 2-(1-Piperazinyl)-3-pyridinecarbonitrile (ACI)
    • Nicotinonitrile, 2-(1-piperazinyl)- (6CI)
    • 1-(3-Cyano-2-pyridyl)piperazine
    • 1-(3-Cyanopyridin-2-yl)piperazine
    • 2-(1-Piperazinyl)nicotinonitrile
    • 2-Piperazinopyridine-3-carbonitrile
    • 3-Cyano-2-piperazinylpyridine
    • N-(3-Cyanopyridin-2-yl)piperazine
    • 2-(1-Piperazinyl)-3-pyridinecarbonitrile
    • 1-[2-(3-cyanopyridyl)]piperazine
    • BDBM50027015
    • CHEMBL48137
    • MFCD00190248
    • F2147-0227
    • 1-(3-Cyano-2-Pyridine)piperazine
    • 84951-44-0
    • 1-(2-(3-cyanopyridyl))-piperazine
    • EN300-24317
    • F30174
    • 2(1-piperazinyl)-nicotinonitrile
    • 2-(piperazin-1-yl)nicotinonitrile
    • 2-Piperazin-1-yl-nicotinonitrile
    • GS0773
    • 151021-42-0
    • 2-Piperazin-1-ylnicotinonitrile
    • QSMNQUURWIAXAA-UHFFFAOYSA-N
    • Q27454531
    • J-510280
    • BBL010872
    • 1-(2-(3-cyanopyridyl))piperazine
    • DTXSID201005241
    • NC-0712
    • 2-piperazinonicotinonitrile, AldrichCPR
    • AKOS000123084
    • STK647002
    • 1-(3-cyano-2-pyridinyl)piperazine
    • 2-piperazin-1-ylpyridine-3-carbonitrile
    • SCHEMBL232897
    • 2-(Piperazin-1-yl)-3-pyridinecarbonitrile
    • 49O
    • Z182952438
    • 2-(1-piperazinyl)-3-pyridine carbonitrile
    • MDL： MFCD00190248
    • Inchi： 1S/C10H12N4/c11-8-9-2-1-3-13-10(9)14-6-4-12-5-7-14/h1-3,12H,4-7H2
    • InChI Key： QSMNQUURWIAXAA-UHFFFAOYSA-N
    • SMILES： N#CC1C(N2CCNCC2)=NC=CC=1

Computed Properties

  • Exact Mass: 188.10600
  • Monoisotopic Mass: 188.106196400g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 226
  • 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: 0.4
  • Topological Polar Surface Area: 52?2

Experimental Properties

  • Melting Point: 102-104°C
  • PSA: 51.95000
  • LogP: 0.75668

2-(piperazin-1-yl)pyridine-3-carbonitrile Security Information

  • Hazard Statement： Irritant
  • Hazardous Material transportation number：UN 3439
  • Hazard Category Code： 20/21/22-34-22
  • Safety Instruction： S26; S36/37/39; S45
  • Hazardous Material Identification： Xi Xn
  • Risk Phrases：R20/21/22; R34
  • HazardClass：IRRITANT

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2-(piperazin-1-yl)pyridine-3-carbonitrile Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Potassium carbonate Solvents: 1,4-Dioxane ;  4 - 5 h, rt → 110 °C
Reference
Structure guided design of potential inhibitors of human calcium-calmodulin dependent protein kinase IV containing pyrimidine scaffold
Naz, Huma; Jameel, Ehtesham; Hoda, Nasimul; Shandilya, Ashutosh; Khan, Parvez; et al, Bioorganic & Medicinal Chemistry Letters, 2016, 26(3), 782-788

Production Method 2

Reaction Conditions
1.1 Solvents: Methanol ;  reflux
Reference
A multifunctional therapeutic approach: Synthesis, biological evaluation, crystal structure and molecular docking of diversified 1H-pyrazolo[3,4-b]pyridine derivatives against Alzheimer's disease
Umar, Tarana; Shalini, Shruti; Raza, Kausar Md ; Gusain, Siddharth; Kumar, Jitendra; et al, European Journal of Medicinal Chemistry, 2019, 175, 2-19

Production Method 3

Reaction Conditions
1.1 Reagents: Potassium carbonate Solvents: 1,4-Dioxane ;  8 - 9 h, 100 °C
Reference
Pyrimidine-Triazolopyrimidine and Pyrimidine-Pyridine Hybrids as Potential Acetylcholinesterase Inhibitors for Alzheimer's Disease
Kumar, Jitendra; Gill, Asim; Shaikh, Marziya; Singh, Anju; Shandilya, Ashutosh; et al, ChemistrySelect, 2018, 3(2), 736-747

Production Method 4

Reaction Conditions
1.1 Solvents: Ethanol-d ;  16 h, reflux
Reference
Novel D2/5-HT receptor modulators related to cariprazine with potential implication to schizophrenia treatment
Juza, Radomir ; Vojtechova, Iveta ; Stefkova-Mazochova, Kristyna; Dehaen, Wim ; Petrasek, Tomas ; et al, European Journal of Medicinal Chemistry, 2022, 232,

Production Method 5

Reaction Conditions
1.1 Reagents: Potassium carbonate Solvents: 1,4-Dioxane ;  8 - 9 h, 100 °C
Reference
Synthesis and screening of triazolopyrimidine scaffold as multi-functional agents for Alzheimer's disease therapies
Kumar, Jitendra; Meena, Poonam; Singh, Anju; Jameel, Ehtesham; Maqbool, Mudasir; et al, European Journal of Medicinal Chemistry, 2016, 119, 260-277

Production Method 6

Reaction Conditions
1.1 Reagents: Potassium carbonate Solvents: 1,4-Dioxane ;  3 - 4 h, reflux
Reference
Development of cyanopyridine-triazine hybrids as lead multitarget anti-Alzheimer agents
Maqbool, Mudasir; Manral, Apra; Jameel, Ehtesham; Kumar, Jitendra; Saini, Vikas; et al, Bioorganic & Medicinal Chemistry, 2016, 24(12), 2777-2788

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Amadis Chemical Company Limited
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(CAS:84951-44-0)2-(piperazin-1-yl)pyridine-3-carbonitrile
Order Number:A841021
Stock Status:in Stock
Quantity:50g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 06:51
Price ($):215.0

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Amadis Chemical Company Limited
(CAS:84951-44-0)2-(piperazin-1-yl)pyridine-3-carbonitrile
A841021
Purity:99%
Quantity:50g
Price ($):215.0
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