Cas no 1368843-51-9 (4-(2,4,5-trimethylphenyl)methylpiperidine)

4-(2,4,5-trimethylphenyl)methylpiperidine structure
1368843-51-9 structure
Product Name:4-(2,4,5-trimethylphenyl)methylpiperidine
CAS No:1368843-51-9
MF:C15H23N
MW:217.34982419014
MDL:MFCD21119636
CID:5602292
PubChem ID:64989761
Update Time:2023-11-24

4-(2,4,5-trimethylphenyl)methylpiperidine Chemical and Physical Properties

Names and Identifiers

    • CS-0279604
    • 1368843-51-9
    • AKOS014321108
    • 4-(2,4,5-Trimethylbenzyl)piperidine
    • 4-[(2,4,5-trimethylphenyl)methyl]piperidine
    • EN300-1858644
    • Piperidine, 4-[(2,4,5-trimethylphenyl)methyl]-
    • 4-(2,4,5-trimethylphenyl)methylpiperidine
    • MDL: MFCD21119636
    • Inchi: 1S/C15H23N/c1-11-8-13(3)15(9-12(11)2)10-14-4-6-16-7-5-14/h8-9,14,16H,4-7,10H2,1-3H3
    • InChI Key: CWRGNBBXWGXCNL-UHFFFAOYSA-N
    • SMILES: N1CCC(CC2C=C(C)C(C)=CC=2C)CC1

Computed Properties

  • Exact Mass: 217.183049738g/mol
  • Monoisotopic Mass: 217.183049738g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 208
  • 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: 3.6
  • Topological Polar Surface Area: 12?2

Experimental Properties

  • Density: 0.946±0.06 g/cm3(Predicted)
  • Boiling Point: 337.7±11.0 °C(Predicted)
  • pka: 10.62±0.10(Predicted)

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