Cas no 198480-55-6 (Pipendoxifene)

Pipendoxifene structure
Pipendoxifene structure
Product Name:Pipendoxifene
CAS No:198480-55-6
MF:C29H32N2O3
MW:456.575987815857
CID:233405
Update Time:2025-04-19

Pipendoxifene Chemical and Physical Properties

Names and Identifiers

    • 1H-Indol-5-ol,2-(4-hydroxyphenyl)-3-methyl-1-[[4-[2-(1-piperidinyl)ethoxy]phenyl]methyl]-
    • PIPENDOXIFENE
    • 2-(4-hydroxyphenyl)-3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indol-5-ol
    • AC1O5FKF
    • CHEBI:165573
    • CHEMBL44426
    • DB05414
    • DNC004369
    • ERA 923
    • ERA-923
    • SureCN134583
    • Pipendoxifene
    • Inchi: 1S/C29H32N2O3/c1-21-27-19-25(33)11-14-28(27)31(29(21)23-7-9-24(32)10-8-23)20-22-5-12-26(13-6-22)34-18-17-30-15-3-2-4-16-30/h5-14,19,32-33H,2-4,15-18,20H2,1H3
    • InChI Key: JICOGKJOQXTAIP-UHFFFAOYSA-N
    • SMILES: O(C1C=CC(=CC=1)CN1C2C=CC(=CC=2C(C)=C1C1C=CC(=CC=1)O)O)CCN1CCCCC1

Computed Properties

  • Exact Mass: 456.24146
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 34
  • Rotatable Bond Count: 7

Experimental Properties

  • PSA: 57.86

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