CAS 98977-36-7

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Chemistry

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Also known as: 98977-36-7, Tert-butyl 3-oxopiperidine-1-carboxylate, 1-boc-3-piperidinone, N-boc-3-piperidone, 1-n-boc-3-piperidone, N-boc-3-piperidinone

Molecular Formula

C₁₀H₁₇NO₃

Molecular Weight

199.25 g/mol

InChI Key

RIFXIGDBUBXKEI-UHFFFAOYSA-N

1 2D Structure

CAS 98977-36-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

tert-butyl 3-oxopiperidine-1-carboxylate

2.1.2 InChI

InChI=1S/C10H17NO3/c1-10(2,3)14-9(13)11-6-4-5-8(12)7-11/h4-7H2,1-3H3

2.1.3 InChI Key

RIFXIGDBUBXKEI-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)(C)OC(=O)N1CCCC(=O)C1

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 98977-36-7

2. Tert-butyl 3-oxopiperidine-1-carboxylate

3. 1-boc-3-piperidinone

4. N-boc-3-piperidone

5. 1-n-boc-3-piperidone

6. N-boc-3-piperidinone

7. 3-oxo-piperidine-1-carboxylic Acid Tert-butyl Ester

8. 1-(tert-butoxycarbonyl)-3-piperidone

9. Mfcd01631193

10. 1-boc-piperidin-3-one

11. 1-piperidinecarboxylic Acid, 3-oxo-, 1,1-dimethylethyl Ester

12. 1-(tert-butoxycarbonyl)-3-piperidinone

13. Tert-butyl 3-oxo-1-piperidinecarboxylate

14. Tert-butyl 3-oxopiperidinecarboxylate

15. N-boc 3-piperidone

16. N-boc-piperidin-3-one

17. N-boc-piperidine-3-one

18. Schembl13160

19. 1-boc-3-piperidone, 97%

20. Dtxsid40373568

21. N-t-butyloxycarbonyl-3-piperidone

22. N-t-butoxycarbonyl-3-oxopiperidine

23. 1-(t-butoxycarbonyl)-3-piperidone

24. 1-tert-butoxycarbonyl-3-piperidone

25. Act02054

26. Albb-006250

27. Bcp23108

28. Cs-d0647

29. N-t-butoxycarbonyl-3-ketopiperidine

30. Zinc4202422

31. (tert-butoxycarbonyl)piperidin-3-one

32. 1-tert-butoxycarbonyl-3-piperidinone

33. 1-tert-butoxycarbonylpiperidin-3-one

34. Bbl104412

35. Stk503787

36. T-butyl 3-oxopiperidin-1-carboxylate

37. Akos004910717

38. T-butyl 3-oxo-1-piperidinecarboxylate

39. Tert-butyl 3-oxopiperadine Carboxylate

40. N-(tert-butoxycarbonyl)-3-piperidinone

41. Pb12238

42. T-butyl 3-oxo-1-piperidine-carboxylate

43. 1-(tert-butoxycarbonyl)piperidine-3-one

44. Ac-28248

45. As-12821

46. Sy001988

47. Tert-butyl 3-oxo-piperidine-1-carboxylate

48. Db-013701

49. Am20120402

50. Bb 0257411

51. Ft-0601675

52. En300-55665

53. 1,1-dimethylethyl 3-oxo-1-piperidinecarboxylate

54. 3-oxo-piperidine-1-carboxylic Acid T-butyl Ester

55. 3-oxopiperidine-1-carboxylic Acid Tert-butyl Ester

56. 977b367

57. 3-oxo-1-piperidinecarboxylic Acid Tert-butyl Ester

58. J-524566

59. F0001-2328

60. Z838921566

61. Tert-butyl 3-oxopiperidine-1-carboxylate Pound>>n-boc-3-piperidone

2.3 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₇NO₃
Molecular Weight	199.25 g/mol
XLogP3	1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	46.6
Heavy Atom Count	14
Formal Charge	0
Complexity	242
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