Cas no 3977-79-5 (1-(1-Butyl-4-piperidyl)-2-methyl-2-phenyl-1-indanol)

1-(1-Butyl-4-piperidyl)-2-methyl-2-phenyl-1-indanol structure
3977-79-5 structure
Product Name:1-(1-Butyl-4-piperidyl)-2-methyl-2-phenyl-1-indanol
CAS No:3977-79-5
MF:C25H33NO
MW:363.535627126694
CID:44644
PubChem ID:53400923
Update Time:2025-04-18

1-(1-Butyl-4-piperidyl)-2-methyl-2-phenyl-1-indanol Chemical and Physical Properties

Names and Identifiers

    • 1-(1-Butyl-4-piperidyl)-2-methyl-2-phenyl-1-indanol
    • 1-(1-BUTYLPIPERIDIN-4-YL)-2-METHYL-2-PHENYL-3H-INDEN-1-OL
    • 3977-79-5
    • DTXSID70694718
    • 1-(1-Butylpiperidin-4-yl)-2-methyl-2-phenyl-2,3-dihydro-1H-inden-1-ol
    • Inchi: 1S/C25H33NO/c1-3-4-16-26-17-14-22(15-18-26)25(27)23-13-9-8-10-20(23)19-24(25,2)21-11-6-5-7-12-21/h5-13,22,27H,3-4,14-19H2,1-2H3
    • InChI Key: HAWOUMPDLOJSBV-UHFFFAOYSA-N
    • SMILES: OC1(C2C=CC=CC=2CC1(C1C=CC=CC=1)C)C1CCN(CCCC)CC1

Computed Properties

  • Exact Mass: 363.256
  • Monoisotopic Mass: 363.256
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 27
  • Rotatable Bond Count: 5
  • Complexity: 479
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 5.3
  • Topological Polar Surface Area: 23.5?2

Experimental Properties

  • Density: 1.074
  • Flash Point: 8 oC
  • PSA: 23.47000
  • LogP: 4.83820
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