4CH-013819

Chemistry

Chemistry

Also known as: 115655-44-2, 4-n-boc-amino-piperidine-4-carboxylic acid methyl ester, Methyl 4-(boc-amino)piperidine-4-carboxylate, Methyl 4-n-boc-aminopiperidine-4-carboxylate, 4-n-boc-amino-isonipecotic acid methyl ester, Methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate

Molecular Formula

C₁₂H₂₂N₂O₄

Molecular Weight

258.31 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. 4-n-boc-amino-piperidine-4-carboxylic Acid Methyl Ester

3. Methyl 4-(boc-amino)piperidine-4-carboxylate

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

5. 4-n-boc-amino-isonipecotic Acid Methyl Ester

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

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

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

9. 4-tert-butoxycarbonylamino-piperidine-4-carboxylic Acid Methyl Ester

10. Mfcd06796557

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

12. Schembl387928

13. Amy3793

14. Dtxsid00561424

15. Act07460

16. Zinc12648793

17. Akos015919952

18. Ac-9189

19. Cs-w003339

20. Pb34175

21. Ds-12759

22. Sy019885

23. Ft-0687368

24. A13670

25. A803469

26. A893842

27. 4-n-boc-amino-isonipecotic Acid Methyl Ester Oxalate

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

29. 4-(tert-butyloxycarbonylamino)-4-carbomethoxy-piperidine

30. 4-[(tert-butyloxycarbonyl)amino]-4-(methoxycarbonyl)piperidine

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

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

33. Methyl4-((tert-butoxycarbonyl)amino)piperidine-4-carboxylate

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

35. 4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-piperidinecarboxylic Acid Methyl Ester

36. 4-piperidinecarboxylic Acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-, Methyl Ester

37. Methyl 4-(tert-butoxycarbonyl)piperidine-4-carboxylate;4-n-boc-amino-isonipecotic Acid Methyl Ester

2.3 Create Date

2007-02-09

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₂₂N₂O₄
Molecular Weight	258.31 g/mol
XLogP3	0.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	258.15795719 g/mol
Monoisotopic Mass	258.15795719 g/mol
Topological Polar Surface Area	76.7 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	317
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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4CH-013819

4CH-013819

Chemistry

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