CAS 1445-73-4

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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. 1-methyl-4-oxopiperidine

10. 1-methylpiperidine-4-one

11. 1-methyl-piperidin-4-one

12. 1-methyl-4-piperidone, Distilled From Glass

13. N-methylpiperidine-4-one

14. Nsc66491

15. Einecs 215-895-5

16. Mfcd00006191

17. 1methyl-4-piperidone

18. 1-methyl4-piperidone

19. Pigmentgreen7

20. 1-methyl-piperid4-one

21. 1-methyl-4 Piperidone

22. 1-methyl-4-pyperidone

23. 1-methylpiperid-4-one

24. N-methyl-4 -piperidone

25. 1-methyl-piperid-4-one

26. 1-methylpiperidone-(4)

27. N-methyl-piperidin-4-one

28. N-methyl-piperidine-4-one

29. Schembl68353

30. N-methyl-4-piperidone, 97%

31. Schembl6527362

32. Dtxsid20162735

33. Act04210

34. Bcp23149

35. Str00612

36. Zinc1693920

37. Nsc 66491

38. Nsc-66491

39. Stl199046

40. Akos000118953

41. Cs-w009198

42. Ps-3183

43. Sb42920

44. Ac-15424

45. Bp-10595

46. Db-002177

47. Am20080337

48. Ft-0608068

49. Ft-0672102

50. M0530

51. W-108155

52. F0001-0514

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₆H₁₁NO
Molecular Weight	113.16 g/mol
XLogP3	-0.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	113.084063974 g/mol
Monoisotopic Mass	113.084063974 g/mol
Topological Polar Surface Area	20.3 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	90.7
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