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    CAS 73279-04-6

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 73279-04-6, 3-(piperidin-1-ylmethyl)phenol, 1-(3-hydroxybenzyl)piperidine, 3-(1-piperidinomethyl)phenol, 3-(1-piperidylmethyl)phenol, 3-(piperidinomethyl)phenol
    Molecular Formula
    C12H17NO
    Molecular Weight
    191.27  g/mol
    InChI Key
    ORGBERFQYFWYGX-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-(piperidin-1-ylmethyl)phenol
    2.1.2 InChI
    InChI=1S/C12H17NO/c14-12-6-4-5-11(9-12)10-13-7-2-1-3-8-13/h4-6,9,14H,1-3,7-8,10H2
    2.1.3 InChI Key
    ORGBERFQYFWYGX-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CCN(CC1)CC2=CC(=CC=C2)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 73279-04-6

    2. 3-(piperidin-1-ylmethyl)phenol

    3. 1-(3-hydroxybenzyl)piperidine

    4. 3-(1-piperidinomethyl)phenol

    5. 3-(1-piperidylmethyl)phenol

    6. 3-(piperidinomethyl)phenol

    7. Mfcd00800250

    8. Phenol, 3-(1-piperidinylmethyl)-

    9. 3-piperidinomethylphenol

    10. 3-piperidinomethyl Phenol

    11. N-3-hydroxybenzylpiperidine

    12. Oprea1_133944

    13. Ae-641/11702937

    14. N-(3-hydroxybenzyl)piperidine

    15. 3-(1-piperidino Methyl)phenol

    16. 3-(1-piperidinomethyl)phenol.

    17. Schembl3154468

    18. 3-(1-piperidinylmethyl)-phenol

    19. Chembl1626137

    20. Amy5273

    21. Dtxsid70356602

    22. Zinc347230

    23. Akos006343444

    24. Cs-w010722

    25. Ds-7468

    26. Sb41200

    27. Ac-19427

    28. Sy052758

    29. Db-021568

    30. Ft-0651261

    31. H1183

    32. F31136

    33. 279p046

    34. A837774

    35. W-203670

    2.3 Create Date
    2005-07-09
    3 Chemical and Physical Properties
    Molecular Weight 191.27 g/mol
    Molecular Formula C12H17NO
    XLogP32.8
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count2
    Exact Mass191.131014166 g/mol
    Monoisotopic Mass191.131014166 g/mol
    Topological Polar Surface Area23.5 Ų
    Heavy Atom Count14
    Formal Charge0
    Complexity166
    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

    3-(1-Piperidinylmethyl)phenol is a known human metabolite of 1-propanol, 3-[3-(1-piperidinylmethyl)phenoxy]-.

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