Cas no 202002-66-2 (2-(Piperidin-4-yl)acetonitrile)

2-(Piperidin-4-yl)acetonitrile is a versatile organic compound featuring a piperidine ring linked to an acetonitrile group. This structure makes it a valuable intermediate in pharmaceutical and agrochemical synthesis, particularly for the development of bioactive molecules. Its nitrile functionality allows for further derivatization, enabling the introduction of amines, carboxylic acids, or heterocycles through standard chemical transformations. The piperidine moiety enhances its utility in medicinal chemistry, often serving as a scaffold for CNS-targeting compounds. The compound's stability and reactivity under controlled conditions make it suitable for multi-step synthetic routes. It is typically handled under inert conditions due to the sensitivity of the nitrile group.
2-(Piperidin-4-yl)acetonitrile structure
202002-66-2 structure
Product Name:2-(Piperidin-4-yl)acetonitrile
CAS No:202002-66-2
MF:C7H12N2
MW:124.183581352234
MDL:MFCD09908275
CID:843127
PubChem ID:10011903
Update Time:2025-06-08

2-(Piperidin-4-yl)acetonitrile Chemical and Physical Properties

Names and Identifiers

    • 4-Piperidineacetonitrile
    • 2-(Piperidin-4-yl)acetonitrile
    • 4-cyanomethyl-piperidine
    • AK-82993
    • KB-224422
    • piperidin-4-yl-acetonitrile
    • PIPERIDIN-4-YLACETONITRILE
    • piperidinylacetonitrile
    • RP09668
    • SureCN123988
    • 4-piperidinylacetonitrile
    • 2-piperidin-4-ylacetonitrile
    • (Piperidin-4-yl)acetonitrile
    • AMY5584
    • 0362AB
    • AC-31866
    • HF-0228
    • A1-02809
    • J-506552
    • SB41343
    • CS-0449428
    • F8881-0398
    • DTXSID90434032
    • 2-(4-piperidyl)acetonitrile
    • 202002-66-2
    • ZVTFIBQPABQXLK-UHFFFAOYSA-N
    • DB-066085
    • AKOS006314594
    • MFCD09908275
    • CIA00266
    • EN300-150533
    • SY270566
    • SCHEMBL123988
    • MDL： MFCD09908275
    • Inchi： 1S/C7H12N2/c8-4-1-7-2-5-9-6-3-7/h7,9H,1-3,5-6H2
    • InChI Key： ZVTFIBQPABQXLK-UHFFFAOYSA-N
    • SMILES： N1CCC(CC#N)CC1

Computed Properties

  • Exact Mass: 124.10016
  • Monoisotopic Mass: 124.100048391g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 116
  • 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: 0.2
  • Topological Polar Surface Area: 35.8

Experimental Properties

  • Density: 0.931
  • Boiling Point: 247.487 °C at 760 mmHg
  • Flash Point: 103.477 °C
  • PSA: 35.82

2-(Piperidin-4-yl)acetonitrile Pricemore >>

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