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2D Structure
Also known as: Tert-butyl n-[(3s,5s)-5-methylpiperidin-3-yl]carbamate, 1,1-dimethylethyl n-((3s,5s)-5-methyl-3-piperidinyl)carbamate, 1,1-dimethylethyl n-[(3s,5s)-5-methyl-3-piperidinyl]carbamate, 846-844-0, Refchem:895037, 951163-61-4
Molecular Formula
C11H22N2O2
Molecular Weight
214.30  g/mol
InChI Key
CNALVHVMBXLLIY-IUCAKERBSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
tert-butyl N-[(3S,5S)-5-methylpiperidin-3-yl]carbamate
2.1.2 InChI
InChI=1S/C11H22N2O2/c1-8-5-9(7-12-6-8)13-10(14)15-11(2,3)4/h8-9,12H,5-7H2,1-4H3,(H,13,14)/t8-,9-/m0/s1
2.1.3 InChI Key
CNALVHVMBXLLIY-IUCAKERBSA-N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. Tert-butyl N-[(3s,5s)-5-methylpiperidin-3-yl]carbamate

2. 1,1-dimethylethyl N-((3s,5s)-5-methyl-3-piperidinyl)carbamate

3. 1,1-dimethylethyl N-[(3s,5s)-5-methyl-3-piperidinyl]carbamate

4. 846-844-0

5. Refchem:895037

6. 951163-61-4

7. Tert-butyl ((3s,5s)-5-methylpiperidin-3-yl)carbamate

8. Mfcd11112079

9. 1405128-25-7

10. Trans-3-(boc-amino)-5-methylpiperidine

11. Tert-butyl N-[trans-5-methyl-3-piperidyl]carbamate

12. Carbamic Acid,n-[(3s,5s)-5-methyl-3-piperidinyl]-, 1,1-dimethylethyl Ester

13. Mfcd23097205

14. Tert-butyl [(3s,5s)-5-methylpiperidin-3-yl]carbamate

15. Tert-butyl (3s,5s)-5-methylpiperidin-3-ylcarbamate

16. (3s,5s)-3-(boc-amino)-5-methylpiperidine

17. Schembl1552784

18. Schembl30403565

19. Dtxsid50647207

20. Tqp0856

21. Cnalvhvmbxlliy-iucakerbsa-n

22. Bnb16361

23. Akos015840244

24. Akos015897943

25. Trans-n-boc-5-methylpiperidin-3-amine

26. Ac-24389

27. Ps-15400

28. Sy225113

29. Sy343718

30. (3s,5s)-(3-boc-amino)-5-methylpiperidine

31. Cs-0091706

32. P13429

33. En300-7098612

34. T-butyl N-[trans-5-methyl-3-piperidyl]carbamate

35. Tert-butyl((3s,5s)-5-methylpiperidin-3-yl)carbamate

36. Tert-butyl N-[(3s,5s)-5-methyl-3-piperidyl]carbamate

37. (3s,55)-3-(tert-butoxycarbonylamino)-5-methylpiperidine

38. (3s,5s)-(5-methyl-piperidin-3-yl)-carbamic Acid Tert-butyl Ester

2.3 Create Date
2008-03-31
3 Chemical and Physical Properties
Molecular Weight 214.30 g/mol
Molecular Formula C11H22N2O2
XLogP31.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area50.4
Heavy Atom Count15
Formal Charge0
Complexity223
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1