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CAS 1445-73-4
PharmaCompass
  • Chemistry
CAS 1445-73-4
Also known as: 1445-73-4, N-methyl-4-piperidone, 1-methylpiperidin-4-one, 1-methyl-4-piperidinone, 4-piperidinone, 1-methyl-, 4-piperidone, 1-methyl-
Molecular Formula
C6H11NO
Molecular Weight
113.16  g/mol
InChI Key
HUUPVABNAQUEJW-UHFFFAOYSA-N

1 2D Structure

CAS 1445-73-4

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-methylpiperidin-4-one
2.1.2 InChI
InChI=1S/C6H11NO/c1-7-4-2-6(8)3-5-7/h2-5H2,1H3
2.1.3 InChI Key
HUUPVABNAQUEJW-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CN1CCC(=O)CC1
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 1445-73-4

2. N-methyl-4-piperidone

3. 1-methylpiperidin-4-one

4. 1-methyl-4-piperidinone

5. 4-piperidinone, 1-methyl-

6. 4-piperidone, 1-methyl-

7. N-methyl-4-piperidinone

8. 1-methyl-4-piperidione

9. N-methylpiperidine-4-one

10. 1-methyl-4-oxopiperidine

11. 1-methylpiperidine-4-one

12. Huupvabnaquejw-uhfffaoysa-n

13. Mfcd00006191

14. 1-methyltetrahydropyridin-4(1h)-one-

15. St50214361

16. 1-methylpiperidin-4-on

17. Nsc66491

18. Einecs 215-895-5

19. Zlchem 508

20. 1methyl-4-piperidone

21. Pubchem8508

22. 1-methyl4-piperidone

23. 1-methyl-piperid4-one

24. 1-methyl-4 Piperidone

25. 1-methyl-4-pyperidone

26. 1-methylpiperid-4-one

27. N-methyl-4 -piperidone

28. 1-methyl-piperid-4-one

29. Ac1q3zmb

30. N-methyl-gamma-piperidone

31. 1-methylpiperidone-(4)

32. N-methyl-piperidin-4-one

33. 1-methyl-piperidin-4-one

34. Acmc-209ct2

35. N-methyl-piperidine-4-one

36. Ac1l2l2s

37. Ac1q6er6

38. Akos Bbs-00004237

39. Schembl68353

40. Ksc177i2l

41. Aronis23876

42. N-methyl-4-piperidone, 97%

43. Schembl6527362

44. Ctk0h7425

45. Dtxsid20162735

46. Zlc0373

47. Molport-000-146-213

48. Act04210

49. Str00612

50. Zinc1693920

51. 1-methyltetrahydropyridin-4(1h)-one

52. Anw-20868

53. Bbl023049

54. Cm0033

55. Fc0486

56. Nsc-66491

57. Sbb080527

58. Akos000118953

59. An-1615

60. Cs-w009198

61. Ls20681

62. Mcule-3370577555

63. Ps-3183

64. Rp19106

65. Rtc-060635

66. Tra0085166

67. Vz21538

68. Ks-0000020z

69. Ac-15424

70. Aj-30229

71. Ak-39177

72. Bc205734

73. Bp-10595

74. Br-39177

75. He028135

76. He179783

77. Kb-12887

78. Sc-01124

79. Ab0005167

80. Db-002177

81. St2415427

82. Tc-060635

83. Tl8000982

84. Tr-032155

85. Am20080337

86. Ft-0608068

87. M0530

88. X0390

89. B-7261

90. 42341-ep2289879a1

91. 42341-ep2311808a1

92. 42341-ep2311829a1

93. 42366-ep2311808a1

94. 42366-ep2311829a1

95. 148670-ep2289879a1

96. S12-0059

97. W-108155

98. F0001-0514

99. Inchi=1/c6h11no/c1-7-4-2-6(8)3-5-7/h2-5h2,1h

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 113.16 g/mol
Molecular Formula C6H11NO
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass113.084 g/mol
Monoisotopic Mass113.084 g/mol
Topological Polar Surface Area20.3 A^2
Heavy Atom Count8
Formal Charge0
Complexity90.7
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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