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    CAS 56621-48-8

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 56621-48-8, 4-(piperazin-1-yl)phenol, 4-(1-piperazinyl)phenol, 4-piperazin-1-ylphenol, N-(4-hydroxyphenyl)piperazine, P-(1-piperazinyl)phenol
    Molecular Formula
    C10H14N2O
    Molecular Weight
    178.23  g/mol
    InChI Key
    GPEOAEVZTOQXLG-UHFFFAOYSA-N
    FDA UNII
    A2SA24RA7S
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-piperazin-1-ylphenol
    2.1.2 InChI
    InChI=1S/C10H14N2O/c13-10-3-1-9(2-4-10)12-7-5-11-6-8-12/h1-4,11,13H,5-8H2
    2.1.3 InChI Key
    GPEOAEVZTOQXLG-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CN(CCN1)C2=CC=C(C=C2)O
    2.2 Other Identifiers
    2.2.1 UNII
    A2SA24RA7S
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 56621-48-8

    2. 4-(piperazin-1-yl)phenol

    3. 4-(1-piperazinyl)phenol

    4. 4-piperazin-1-ylphenol

    5. N-(4-hydroxyphenyl)piperazine

    6. P-(1-piperazinyl)phenol

    7. 4-piperazinophenol

    8. Phenol, 4-(1-piperazinyl)-

    9. 1-(4-hydroxyphenyl)-piperazine

    10. Mfcd00066156

    11. 4-(1-piperazino)phenol

    12. Einecs 260-289-6

    13. 4-piperazinyl Phenol

    14. 4-piperazin-1-yl-phenol

    15. 4-hydroxy Phenylpiperazine

    16. 4-piperazine-1-yl-phenol

    17. 4-(piperazine-1-yl)phenol

    18. A2sa24ra7s

    19. 4-(piperazin-1-yl)-phenol

    20. Oprea1_539482

    21. Schembl40343

    22. 4-(4-hydroxyphenyl)piperazine

    23. 4-hydroxyphenylpiperazine

    24. N-(4-hydroxyphenyl)-piperazine

    25. Dtxsid80205197

    26. Gpeoaevztoqxlg-uhfffaoysa-n

    27. Hms1786o12

    28. Bbl036783

    29. Stk585941

    30. Akos001044007

    31. Ac-8984

    32. Cs-w017311

    33. Fs-3772

    34. Sy021141

    35. Am20060673

    36. Ft-0629230

    37. H0891

    38. En300-17230

    39. A26636

    40. F14231

    41. 1-(4-hydroxyphenyl)piperazine, >=98.0% (nt)

    42. W-105507

    43. Z56899148

    44. F2158-0909

    45. N-(4-hydroxyphenyl)piperazine;4-piperazin-1-yl-phenol;4-piperazinophenol

    2.4 Create Date
    2005-07-07
    3 Chemical and Physical Properties
    Molecular Weight 178.23 g/mol
    Molecular Formula C10H14N2O
    XLogP30.8
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count1
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area35.5
    Heavy Atom Count13
    Formal Charge0
    Complexity149
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 Metabolism/Metabolites

    1-(4-hydroxyphenyl)piperazine is a known human metabolite of 1-(4-methoxyphenyl)piperazine.

    S73 | METXBIODB | Metabolite Reaction Database from BioTransformer | DOI:10.5281/zenodo.4056560