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Overview of CAS 115655-44-2

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4CH-013819
PharmaCompass
  • Chemistry
4CH-013819
Also known as: 115655-44-2, Methyl 4-((tert-butoxycarbonyl)amino)piperidine-4-carboxylate, 4-n-boc-amino-isonipecotic acid methyl ester, 4-n-boc-amino-piperidine-4-carboxylic acid methyl ester, Methyl 4-n-boc-aminopiperidine-4-carboxylate, Methyl 4-[(tert-butoxycarbonyl)amino]piperidine-4-carboxylate
Molecular Formula
C12H22N2O4
Molecular Weight
258.318  g/mol
InChI Key
XWBFIPVPQLAHMA-UHFFFAOYSA-N

1 2D Structure

4CH-013819

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate
2.1.2 InChI
InChI=1S/C12H22N2O4/c1-11(2,3)18-10(16)14-12(9(15)17-4)5-7-13-8-6-12/h13H,5-8H2,1-4H3,(H,14,16)
2.1.3 InChI Key
XWBFIPVPQLAHMA-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(C)(C)OC(=O)NC1(CCNCC1)C(=O)OC
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 115655-44-2

2. Methyl 4-((tert-butoxycarbonyl)amino)piperidine-4-carboxylate

3. 4-n-boc-amino-isonipecotic Acid Methyl Ester

4. 4-n-boc-amino-piperidine-4-carboxylic Acid Methyl Ester

5. Methyl 4-n-boc-aminopiperidine-4-carboxylate

6. Methyl 4-[(tert-butoxycarbonyl)amino]piperidine-4-carboxylate

7. Methyl 4-{[(tert-butoxy)carbonyl]amino}piperidine-4-carboxylate

8. 4-tert-butoxycarbonylamino-piperidine-4-carboxylic Acid Methyl Ester

9. Methyl 4-(tert-butoxycarbonylamino)piperidine-4-carboxylate

10. Ak-37601

11. Schembl387928

12. Dtxsid00561424

13. Molport-002-499-972

14. Xwbfipvpqlahma-uhfffaoysa-n

15. Act07460

16. Mfcd06796557

17. Zinc12648793

18. Akos015919952

19. Ac-9189

20. An-7278

21. Cs-w003339

22. Pb34175

23. Tra0074951

24. Aj-62794

25. Br-37601

26. Ds-12759

27. He054515

28. He220941

29. Sc-11336

30. Sy019885

31. Ab0034891

32. Ax8038157

33. Rt-020504

34. St2419558

35. 4ch-013819

36. Ft-0687368

37. Ks-00000793

38. A13670

39. S-3723

40. A803469

41. 4-n-boc-amino-piperidine-4-carboxylicacidmethylester

42. 4-n-boc-amino-isonipecotic Acid Methyl Ester Oxalate

43. Methyl 4-(tert-butoxycarbonyl)piperidine-4-carboxylate

44. 4-(tert-butyloxycarbonylamino)-4-carbomethoxy-piperidine

45. 4-[(tert-butyloxycarbonyl)amino]-4-(methoxycarbonyl)piperidine

46. Methyl 4-(tert-butoxycarbonyl-amino)piperidine-4-carboxylate

47. Methyl 4-(tert-butoxycarbonylamino)-piperidine-4-carboxylate

48. Methyl 4-({[(1,1-dimethylethyl)oxy]carbonyl}amino)-4-piperidinecarboxylate

49. Methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate

50. 4-[[(1,1-dimethylethoxy)carbonyl]amino]-4-piperidinecarboxylic Acid Methyl Ester

51. 4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-piperidinecarboxylic Acid Methyl Ester

52. 4-piperidinecarboxylic Acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-, Methyl Ester

53. 4-piperidinecarboxylicacid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-, Methyl Ester

2.3 Create Date
2007-02-09
3 Chemical and Physical Properties
Molecular Weight 258.318 g/mol
Molecular Formula C12H22N2O4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass258.158 g/mol
Monoisotopic Mass258.158 g/mol
Topological Polar Surface Area76.7 A^2
Heavy Atom Count18
Formal Charge0
Complexity317
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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