571189-16-7

Chemistry, 1 End Use API, 46 Related Intermediates

Manufacturers/Suppliers

1 Suppliers

1 Suppliers

Also known as: 571189-16-7, 1-boc-4-(6-nitro-3-pyridyl)piperazine, 1-boc-4-(6-nitropyridin-3-yl)piperazine, 4-(6-nitro-pyridin-3-yl)-piperazine-1-carboxylic acid tert-butyl ester, Mfcd11849291, 1-piperazinecarboxylic acid, 4-(6-nitro-3-pyridinyl)-, 1,1-dimethylethyl ester

Molecular Formula

C₁₄H₂₀N₄O₄

Molecular Weight

308.33 g/mol

InChI Key

SUWKOEMQNOBJEQ-UHFFFAOYSA-N

1 2D Structure

571189-16-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

tert-butyl 4-(6-nitropyridin-3-yl)piperazine-1-carboxylate

2.1.2 InChI

InChI=1S/C14H20N4O4/c1-14(2,3)22-13(19)17-8-6-16(7-9-17)11-4-5-12(15-10-11)18(20)21/h4-5,10H,6-9H2,1-3H3

2.1.3 InChI Key

SUWKOEMQNOBJEQ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CN=C(C=C2)[N+](=O)[O-]

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 571189-16-7

2. 1-boc-4-(6-nitro-3-pyridyl)piperazine

3. 1-boc-4-(6-nitropyridin-3-yl)piperazine

4. 4-(6-nitro-pyridin-3-yl)-piperazine-1-carboxylic Acid Tert-butyl Ester

5. Mfcd11849291

6. 1-piperazinecarboxylic Acid, 4-(6-nitro-3-pyridinyl)-, 1,1-dimethylethyl Ester

7. Ec 801-163-8

8. Schembl1392727

9. Schembl17525877

10. Amy1839

11. Dtxsid00459953

12. Suwkoemqnobjeq-uhfffaoysa-n

13. Bcp11900

14. Cs-b0331

15. Akos009103755

16. Ab91571

17. Ac-31707

18. Ds-17740

19. Sy056804

20. 1-boc-4-(6-nitro-pyridin-3-yl)-piperazine

21. Ft-0697064

22. En300-178893

23. A869755

24. Tert-butyl 4-(6-nitropyridin-3-yl)piperazine-carboxylate

25. Tert-butyl4-(6-nitropyridin-3-yl)piperazine-1-carboxylate

26. Tert.-butyl 4-(6-nitro-3-pyridinyl)-1-piperazinecarboxylate

27. 4-(6-nitro-pyridin-3-yl)-piperazine-1-carboxylic Acid Tert-butyl Ester;

28. 4-(6-nitropyridin-3-yl)piperazine-1-carboxylic Acid Tert-butyl Ester

29. 1-piperazinecarboxylic Acid,4-(6-nitro-3-pyridinyl)-,1,1-dimethylethyl Ester

30. 4-(6-nitro-3-pyridinyl)-1-piperazinecarboxylic Acid, 1,1-dimethylethyl Ester

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₂₀N₄O₄
Molecular Weight	308.33 g/mol
XLogP3	1.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	91.5
Heavy Atom Count	22
Formal Charge	0
Complexity	410
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