CAS 206989-61-9

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Also known as: 206989-61-9, N-boc-4-acetylpiperidine, 1-boc-4-acetylpiperidine, 4-acetyl-piperidine-1-carboxylic acid tert-butyl ester, N-boc-4-acetypiperidine, 1-piperidinecarboxylic acid, 4-acetyl-, 1,1-dimethylethyl ester

Molecular Formula

C₁₂H₂₁NO₃

Molecular Weight

227.30 g/mol

InChI Key

HNVBBNZWMSTMAZ-UHFFFAOYSA-N

1 2D Structure

CAS 206989-61-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

tert-butyl 4-acetylpiperidine-1-carboxylate

2.1.2 InChI

InChI=1S/C12H21NO3/c1-9(14)10-5-7-13(8-6-10)11(15)16-12(2,3)4/h10H,5-8H2,1-4H3

2.1.3 InChI Key

HNVBBNZWMSTMAZ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(=O)C1CCN(CC1)C(=O)OC(C)(C)C

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 206989-61-9

2. N-boc-4-acetylpiperidine

3. 1-boc-4-acetylpiperidine

4. 4-acetyl-piperidine-1-carboxylic Acid Tert-butyl Ester

5. N-boc-4-acetypiperidine

6. 1-piperidinecarboxylic Acid, 4-acetyl-, 1,1-dimethylethyl Ester

7. Tert-butyl4-acetylpiperidine-1-carboxylate

8. Mfcd08437655

9. 4-acetylpiperidine-1-carboxylic Acid Tert-butyl Ester

10. 4-acetyl-1-piperidinecarboxylic Acid Tert-butyl Ester

11. N-boc-4-acetyl-piperidine

12. Schembl2015039

13. Dtxsid30450938

14. 1-boc-4-acetyl-piperidine

15. 4-acetyl-piperidine-1-carboxylic Acid Mono T-butyl Ester

16. Act08877

17. Albb-028030

18. Bcp04212

19. Cs-b0845

20. Zinc31776840

21. Akos004910644

22. Pb12523

23. 1-t-butyloxycarbonyl-4-acetyl-piperidine

24. 4-acetyl-1-(t-butoxycarbonyl)piperidine

25. 1-tert-butoxycarbonyl-4-acetyl-piperidine

26. 4-acetyl-1-(t-butoxycarbonyl)-piperidine

27. Ac-25614

28. Bs-11734

29. Sy007085

30. Ter-butyl 4-acetylpiperidine-1-carboxylate

31. 4-acetyl-1-(tert-butoxycarbonyl)piperidine

32. Db-009970

33. Am20090165

34. Bb 0220581

35. C2190

36. Ft-0648162

37. Tert-butyl 4-ethanoylpiperidine-1-carboxylate

38. 989a619

39. A814823

40. 1,1-dimethylethyl 4-acetyl-1-piperidinecarboxylate

41. W-206064

42. W-206546

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₂₁NO₃
Molecular Weight	227.30 g/mol
XLogP3	1.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	227.15214353 g/mol
Monoisotopic Mass	227.15214353 g/mol
Topological Polar Surface Area	46.6 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	273
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