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2D Structure
Also known as: 124443-68-1, N-boc-piperidine-4-carboxylic acid methyl ester, 1,4-piperidinedicarboxylic acid, 1-(1,1-dimethylethyl) 4-methyl ester, Methyl n-boc-4-piperidinecarboxylate, Methyl n-boc-piperidine-4-carboxylate, Mfcd02183584
Molecular Formula
C12H21NO4
Molecular Weight
243.30  g/mol
InChI Key
PTZNCCIULVXFIJ-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-O-tert-butyl 4-O-methyl piperidine-1,4-dicarboxylate
2.1.2 InChI
InChI=1S/C12H21NO4/c1-12(2,3)17-11(15)13-7-5-9(6-8-13)10(14)16-4/h9H,5-8H2,1-4H3
2.1.3 InChI Key
PTZNCCIULVXFIJ-UHFFFAOYSA-N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 124443-68-1

2. N-boc-piperidine-4-carboxylic Acid Methyl Ester

3. 1,4-piperidinedicarboxylic Acid, 1-(1,1-dimethylethyl) 4-methyl Ester

4. Methyl N-boc-4-piperidinecarboxylate

5. Methyl N-boc-piperidine-4-carboxylate

6. Mfcd02183584

7. Methyl (1-boc-piperidin-4-yl)carboxylate

8. Nsc693923

9. 1-n-boc-4-piperidinecarboxylic Acid Methyl Ester

10. 1-o-tert-butyl 4-o-methyl Piperidine-1,4-dicarboxylate

11. 1-boc-4-piperidinecarboxylic Acid Methyl Ester

12. 1-(1,1-dimethylethyl) 4-methyl 1,4-piperidinedicarboxylate

13. Methyl 1-boc-piperidine-4-carboxylate

14. 1-(tert-butyl) 4-methyl Piperidine-1,4-dicarboxylate

15. Methyl 1-tert-butoxycarbonylpiperidine-4-carboxylate

16. N-boc-4-piperidinecarboxylic Acid Methyl Ester

17. Methyl Piperidine-4-carboxylate, N-boc Protected

18. Schembl57231

19. O1-tert-butyl O4-methyl Piperidine-1,4-dicarboxylate

20. Chembl2003081

21. Dtxsid20327847

22. Ptzncciulvxfij-uhfffaoysa-n

23. 1-(tert-butoxycarbonyl)-4-piperidinecarboxylic Acid Methyl Ester

24. Albb-006379

25. Bcp22296

26. Methyl 1-boc-4-piperidinecarboxylate

27. N-boc-isonipecotic Acid Methyl Ester

28. Stk503880

29. Akos005071387

30. Cs-w004331

31. Nsc-693923

32. Pb21176

33. Sb10787

34. Nci60_033612

35. Sy002284

36. Db-007749

37. M2227

38. En300-23880

39. B56857

40. M17221

41. Methyl 1-t-butoxycarbonylpiperidine-4-carboxylate

42. N-t-butoxycarbonyl Isonipecotic Acid Methyl Ester

43. 1-t-butyl 4-methyl Piperidine-1,4-dicarboxylate

44. 1-tert-butyl 4-methyl 1,4-piperidinedicarboxylate

45. 9w-0607

46. J-505142

47. Tert-butyl 4-methoxycarbonylpiperidine-1-carboxylate

48. Methyl 1-(tert-butoxycarbonyl)-4-piperidinecarboxylate

49. Methyl 1-(tert-butoxycarbonyl)piperidine-4-carboxylate

50. Tert-butyl Methyl Piperidine-1,4-dicarboxylate

51. Piperidine-1,4-dicarboxylic Acid 1-tert-butyl 4-methyl

52. 1-(tert-butoxycarbonyl)piperidin-4-carboxylic Methyl Ester

53. 1-(tert-butoxycarbonyl)piperidin-4-carboxylic Acid Methyl Ester

54. 1-(tert-butyl) 4-methyl Tetrahydro-1,4(2h)-pyridinedicarboxylate

55. 4-(methoxycarbonyl)piperidine-1-carboxylic Acid Tert-butyl Ester

56. Piperidine-1,4-dicarboxylic Acid 1-tert-butyl Ester 4 Methyl Ester

57. Piperidine-1,4-dicarboxylic Acid 1-tert-butyl Ester 4-methyl Ester

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 243.30 g/mol
Molecular Formula C12H21NO4
XLogP31.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area55.8
Heavy Atom Count17
Formal Charge0
Complexity287
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1