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    CAS-115-46-8

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 115-46-8, Diphenyl(piperidin-4-yl)methanol, Alpha,alpha-diphenyl-4-piperidinomethanol, Frenquel, Alpha-(4-piperidyl)benzhydrol, Alpha,alpha-diphenyl-4-piperidinemethanol
    Molecular Formula
    C18H21NO
    Molecular Weight
    267.4  g/mol
    InChI Key
    ZMISODWVFHHWNR-UHFFFAOYSA-N
    FDA UNII
    2MMR990PEM
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    diphenyl(piperidin-4-yl)methanol
    2.1.2 InChI
    InChI=1S/C18H21NO/c20-18(15-7-3-1-4-8-15,16-9-5-2-6-10-16)17-11-13-19-14-12-17/h1-10,17,19-20H,11-14H2
    2.1.3 InChI Key
    ZMISODWVFHHWNR-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CNCCC1C(C2=CC=CC=C2)(C3=CC=CC=C3)O
    2.2 Other Identifiers
    2.2.1 UNII
    2MMR990PEM
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Azacyclonol Hydrochloride

    2.3.2 Depositor-Supplied Synonyms

    1. 115-46-8

    2. Diphenyl(piperidin-4-yl)methanol

    3. Alpha,alpha-diphenyl-4-piperidinomethanol

    4. Frenquel

    5. Alpha-(4-piperidyl)benzhydrol

    6. Alpha,alpha-diphenyl-4-piperidinemethanol

    7. Ataractan

    8. Gamma-pipradol

    9. 4-piperidinemethanol, Alpha,alpha-diphenyl-

    10. Diphenyl(4-piperidinyl)methanol

    11. Calmeran

    12. Diphenyl-piperidin-4-yl-methanol

    13. Mer 17

    14. Frenoton

    15. Psychosan

    16. Diphenyl-4-piperidylmethanol

    17. Mfcd00066980

    18. 2mmr990pem

    19. Mls000558844

    20. Chembl127508

    21. 4-(diphenylhydroxymethyl)piperidine

    22. Ncgc00016366-01

    23. Cas-115-46-8

    24. Smr000149160

    25. Diphenyl(piperidin-4-yl)methanol (azacyclonol)

    26. Dsstox_cid_25280

    27. Dsstox_rid_80781

    28. 4-piperidinemethanol, .alpha.,.alpha.-diphenyl-

    29. Dsstox_gsid_45280

    30. Azaciclonolo [dcit]

    31. Azaciclonolo

    32. Azacyclonolum

    33. Azacyklonol

    34. Azacyclonol [inn:ban]

    35. Azacyclonolum [inn-latin]

    36. Einecs 204-092-5

    37. Unii-2mmr990pem

    38. Brn 0230221

    39. Y-pipradol

    40. .gamma.-pipradol

    41. Prestwick_84

    42. Azacyclonol [mi]

    43. Maybridge3_001033

    44. Opera_id_1183

    45. Prestwick0_000093

    46. Prestwick1_000093

    47. Prestwick2_000093

    48. Prestwick3_000093

    49. Azacyclonol [inn]

    50. Ec 204-092-5

    51. Oprea1_114075

    52. Oprea1_848733

    53. Azacyclonol [who-dd]

    54. Bspbio_000046

    55. Diphenyl 4-piperidyl Carbinol

    56. Mls001201777

    57. Schembl241817

    58. Spbio_001985

    59. Bpbio1_000052

    60. Dtxsid2045280

    61. Chebi:93706

    62. .alpha.-(4-piperidyl)benzhydrol

    63. Diphenyl(4-piperidinyl)methanol #

    64. Hms1433o21

    65. Hms1568c08

    66. Hms2095c08

    67. Hms2230g14

    68. Hms3652k11

    69. Hms3712c08

    70. Hms3885e13

    71. 4-(hydroxydiphenylmethyl)piperidine

    72. Act07452

    73. Hy-b0530

    74. Mdl 4829

    75. 4-(diphenylhydroxymethyl) Piperidine

    76. Tox21_110399

    77. Ac2248

    78. Bbl010986

    79. Bdbm50017724

    80. Ccg-51239

    81. S3196

    82. Stk802108

    83. Zinc12375998

    84. Akos000121583

    85. Tox21_110399_1

    86. 4-(hydroxy-diphenyl-methyl)-piperidine

    87. Ac-2127

    88. Idi1_012420

    89. Ncgc00016366-02

    90. Ncgc00016366-04

    91. Ncgc00179677-01

    92. As-13114

    93. Phenyl(4-(piperidin-1-yl)phenyl)methanol

    94. Sy036924

    95. Alpha, Alpha-diphenyl-4-piperidinemethanol

    96. Alpha,alpha -diphenyl-4-piperidinemethanol

    97. Alpha,alpha -diphenyl-4-piperidine-methanol

    98. Db-041270

    99. Am20020238

    100. Ft-0622512

    101. P1369

    102. Sw196396-3

    103. Terfenadine Impurity I [ep Impurity]

    104. .alpha.,.alpha.-diphenyl-4-piperidinemethanol

    105. Sr-01000640550

    106. J-003293

    107. J-523943

    108. Q4832014

    109. Sr-01000640550-1

    110. Sr-01000640550-4

    111. Brd-k97061094-001-03-2

    112. Diphenyl(piperidin-4-yl)methanol (azacyclonol; Pipradrol 4-isomer)

    113. Diphenyl(piperidin-4-yl)methanol (azacyclonol; Pipradrol 4-isomer) 1.0 Mg/ml In Methanol

    2.4 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 267.4 g/mol
    Molecular Formula C18H21NO
    XLogP32.9
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count3
    Exact Mass267.162314293 g/mol
    Monoisotopic Mass267.162314293 g/mol
    Topological Polar Surface Area32.3 Ų
    Heavy Atom Count20
    Formal Charge0
    Complexity268
    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

    Azacyclonol is a known human metabolite of terfenadine.

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