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CAS 206989-61-9 manufacturers and suppliers on PharmaCompass

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CAS 206989-61-9
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 Weight 227.30 g/mol
Molecular Formula C12H21NO3
XLogP31.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass227.15214353 g/mol
Monoisotopic Mass227.15214353 g/mol
Topological Polar Surface Area46.6 Ų
Heavy Atom Count16
Formal Charge0
Complexity273
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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