Cas no 5562-23-2 (2-(3-piperidyl)acetonitrile;hydrochloride)

2-(3-Piperidyl)acetonitrile hydrochloride is a versatile synthetic intermediate used in organic and medicinal chemistry. The compound features a piperidine ring coupled with an acetonitrile moiety, offering reactive sites for further functionalization. Its hydrochloride salt form enhances stability and solubility, facilitating handling and storage. This reagent is particularly valuable in the synthesis of pharmaceuticals, agrochemicals, and bioactive molecules, where the piperidine scaffold is a common structural motif. The nitrile group provides a convenient handle for transformations such as hydrolysis, reduction, or cyclization. Its well-defined chemical properties make it a reliable building block for researchers developing novel compounds with potential therapeutic or industrial applications.
2-(3-piperidyl)acetonitrile;hydrochloride structure
5562-23-2 structure
Product Name:2-(3-piperidyl)acetonitrile;hydrochloride
CAS No:5562-23-2
MF:C7H13ClN2
MW:160.644520521164
MDL:MFCD19443966
CID:1071663
PubChem ID:66521688
Update Time:2025-05-28

2-(3-piperidyl)acetonitrile;hydrochloride Chemical and Physical Properties

Names and Identifiers

    • 2-(3-Piperidyl)acetonitrile hydrochloride
    • 2-(PIPERIDIN-3-YL)ACETONITRILE HYDROCHLORIDE
    • 2-(4-Piperidyl)acetonitrile hydrochloride
    • 2-(Piperidin-4-yl)acetonitrile, hydrochloride
    • Piperidin-4-ylacetonitrile hydrochloride
    • 2-(3-piperidyl)acetonitrile;hydrochloride
    • Piperidin-3-yl-acetonitrile hydrochloride
    • EN300-295126
    • s11284
    • F2167-8343
    • (Piperidin-3-yl)acetonitrile--hydrogen chloride (1/1)
    • SCHEMBL19510774
    • 5562-23-2
    • A937350
    • SB41173
    • CS-W001594
    • 2-(PIPERIDIN-3-YL)ACETONITRILE HCL
    • J-505828
    • AKOS015949249
    • SY111195
    • DTXSID40735066
    • 2-(3-Piperidyl)acetonitrilehydrochloride
    • 2-piperidin-3-ylacetonitrile;hydrochloride
    • AS-54523
    • Z2507870625
    • MFCD19443966
    • 3-piperidinylacetonitrile hydrochloride
    • 2-piperidin-3-ylacetonitrile hydrochloride
    • DB-354785
    • MDL: MFCD19443966
    • Inchi: 1S/C7H12N2.ClH/c8-4-3-7-2-1-5-9-6-7;/h7,9H,1-3,5-6H2;1H
    • InChI Key: JOFBEZBCUSIDGI-UHFFFAOYSA-N
    • SMILES: Cl.N1CCCC(CC#N)C1

Computed Properties

  • Exact Mass: 160.07689
  • Monoisotopic Mass: 160.0767261g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 122
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 35.8?2

Experimental Properties

  • PSA: 35.82

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