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Valsynthese, part of the SSE Group, is a CDMO focused on highly energetic and highly hazardous chemistry.

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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

HMS3712C08

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 Formula	C₁₈H₂₁NO
Molecular Weight	267.4 g/mol
XLogP3	2.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	267.162314293 g/mol
Monoisotopic Mass	267.162314293 g/mol
Topological Polar Surface Area	32.3 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	268
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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

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