CAS 951163-61-4

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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

CAS 951163-61-4

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 Formula	C₁₁H₂₂N₂O₂
Molecular Weight	214.30 g/mol
XLogP3	1.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	50.4
Heavy Atom Count	15
Formal Charge	0
Complexity	223
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1