Cas no 59507-46-9 (1-(3-nitrophenyl)methylpiperidine)

1-(3-Nitrophenyl)methylpiperidine is a nitrophenyl-substituted piperidine derivative with potential applications in pharmaceutical and chemical research. Its structure, featuring a piperidine ring linked to a 3-nitrophenyl group, makes it a valuable intermediate in the synthesis of bioactive compounds, particularly those targeting neurological or receptor-based pathways. The nitro group offers reactivity for further functionalization, enabling diverse derivatization routes. This compound is characterized by its stability under standard conditions and compatibility with common organic solvents, facilitating its use in multistep synthetic processes. Its well-defined molecular architecture ensures reproducibility in research applications, making it a reliable choice for medicinal chemistry and drug development studies.
1-(3-nitrophenyl)methylpiperidine structure
59507-46-9 structure
Product Name:1-(3-nitrophenyl)methylpiperidine
CAS No:59507-46-9
MF:C12H16N2O2
MW:220.267642974854
CID:4055248
PubChem ID:12254862
Update Time:2025-06-07

1-(3-nitrophenyl)methylpiperidine Chemical and Physical Properties

Names and Identifiers

    • Piperidine, 1-[(3-nitrophenyl)methyl]-
    • 1-[(3-Nitrophenyl)methyl]piperidine
    • 1-(3-nitrophenyl)methylpiperidine
    • BS-32603
    • 1-(3-nitrobenzyl)piperidine
    • EN300-1197067
    • SCHEMBL922442
    • 1-(3-nitrobenzyl)-piperidine
    • LRYVKFIOQOXESJ-UHFFFAOYSA-N
    • SB43315
    • 59507-46-9
    • Inchi： 1S/C12H16N2O2/c15-14(16)12-6-4-5-11(9-12)10-13-7-2-1-3-8-13/h4-6,9H,1-3,7-8,10H2
    • InChI Key： LRYVKFIOQOXESJ-UHFFFAOYSA-N
    • SMILES： N1(CC2=CC=CC([N+]([O-])=O)=C2)CCCCC1

Computed Properties

  • Exact Mass: 220.121177757Da
  • Monoisotopic Mass: 220.121177757Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 234
  • 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: 2.8
  • Topological Polar Surface Area: 49.1?2

1-(3-nitrophenyl)methylpiperidine Pricemore >>

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