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2D Structure
Also known as: N-benzyl-4-piperidone, 3612-20-2, 1-benzylpiperidin-4-one, 4-piperidinone, 1-(phenylmethyl)-, 1-benzyl-4-oxopiperidine, 1-benzyl-piperidin-4-one
Molecular Formula
C12H15NO
Molecular Weight
189.25  g/mol
InChI Key
SJZKULRDWHPHGG-UHFFFAOYSA-N
FDA UNII
399249PH5B

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-benzylpiperidin-4-one
2.1.2 InChI
InChI=1S/C12H15NO/c14-12-6-8-13(9-7-12)10-11-4-2-1-3-5-11/h1-5H,6-10H2
2.1.3 InChI Key
SJZKULRDWHPHGG-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CN(CCC1=O)CC2=CC=CC=C2
2.2 Other Identifiers
2.2.1 UNII
399249PH5B
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. N-benzyl-4-piperidone

2. 3612-20-2

3. 1-benzylpiperidin-4-one

4. 4-piperidinone, 1-(phenylmethyl)-

5. 1-benzyl-4-oxopiperidine

6. 1-benzyl-piperidin-4-one

7. N-benzyl-4-piperidinone

8. 1-benzyl-4-piperidinone

9. 1-benzylpiperidone

10. 4-piperidone, 1-benzyl-

11. Benzyl-4-piperidone

12. N-benzylpiperidin-4-one

13. Mfcd00006192

14. N-benzylpiperidinone

15. 4-n-benzylpiperidone

16. 1-benzylpiperidine-4-one

17. Mls002694053

18. 1-(phenylmethyl)-4-piperidinone

19. Nsc-77933

20. 399249ph5b

21. Unii-399249ph5b

22. Benzylpiperidone-4

23. Nsc77933

24. Einecs 222-782-4

25. N-benzyl4-piperidone

26. 1-benzylpiperid4-one

27. 1-benzyl4-piperidone

28. N-benzyl 4-piperidone

29. 1-benzylpiperid-4-one

30. 1-benzyi-4-piperidone

31. Benzyl-piperidin-4-one

32. 1-benzyl-4-piperdinone

33. N-benzylpiperdine-4-one

34. 1-benzyl -4-piperidone

35. 1-benzyl-4 -piperidone

36. 1-benzyl-piperid-4-one

37. 1 -benzyl-4-piperidone

38. N-benzyl-4-oxopiperidine

39. N-benzylpiperidine-4-one

40. 4-oxo-1-benzylpiperidine

41. 1-benzyl Piperidin-4-one

42. 1-benzyl-4-oxo-piperidine

43. Schembl4726

44. 1-phenylmethyl-4-piperidone

45. Nciopen2_000865

46. 1-phenylmethyl-4-piperidinone

47. 4-piperidone,1-benzyl

48. 1-(phenylmethyl)-4-piperidone

49. Chembl491630

50. 1-benzyl-4-piperidone, 99%

51. Dtxsid30189695

52. 1-(phenyl-methyl)-4-piperidinone

53. Hms1648p07

54. Act04214

55. Bcp22272

56. Nsc 77933

57. Stl141066

58. Zinc53178479

59. Akos000119701

60. Ac-6376

61. Am85336

62. Cs-w007822

63. Fs-1714

64. Sb42971

65. Ncgc00246875-01

66. Bp-10640

67. Smr001559985

68. Sy001468

69. Db-013199

70. A6268

71. Eu-0099975

72. Ft-0663028

73. Ft-0688557

74. 612b202

75. Sr-01000597226

76. 1-benzyl-4-piperidone, Technical, >=98.0% (gc)

77. Q-200108

78. Sr-01000597226-1

79. Q27256879

80. Z54749061

81. F0850-6847

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 189.25 g/mol
Molecular Formula C12H15NO
XLogP31.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass189.115364102 g/mol
Monoisotopic Mass189.115364102 g/mol
Topological Polar Surface Area20.3 Ų
Heavy Atom Count14
Formal Charge0
Complexity187
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1