CAS 571188-59-5

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12 End Use APIs
45 Related Intermediates

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Also known as: 571188-59-5, 1-boc-4-(6-aminopyridin-3-yl)piperazine, Otava-bb 1207229, 4-(6-amino-3-pyridyl)-1-boc-piperazine, Tert-butyl 4-(6-amino-3-pyridyl)piperazine-1-carboxylate, Mfcd11594962

Molecular Formula

C₁₄H₂₂N₄O₂

Molecular Weight

278.35 g/mol

InChI Key

RMULRXHUNOVPEI-UHFFFAOYSA-N

FDA UNII

6Y3BU8W3TC

1 2D Structure

CAS 571188-59-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

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

2.1.2 InChI

InChI=1S/C14H22N4O2/c1-14(2,3)20-13(19)18-8-6-17(7-9-18)11-4-5-12(15)16-10-11/h4-5,10H,6-9H2,1-3H3,(H2,15,16)

2.1.3 InChI Key

RMULRXHUNOVPEI-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CN=C(C=C2)N

2.2 Other Identifiers

2.2.1 UNII

6Y3BU8W3TC

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 571188-59-5

2. 1-boc-4-(6-aminopyridin-3-yl)piperazine

3. Otava-bb 1207229

4. 4-(6-amino-3-pyridyl)-1-boc-piperazine

5. Tert-butyl 4-(6-amino-3-pyridyl)piperazine-1-carboxylate

6. Mfcd11594962

7. 6y3bu8w3tc

8. 1-piperazinecarboxylic Acid, 4-(6-amino-3-pyridinyl)-, 1,1-dimethylethyl Ester

9. 4-(6-aminopyridin-3-yl)piperazine-1-carboxylic Acid Tert-butyl Ester

10. 1-boc-4-(6-amino-3-pyridyl)piperazine

11. Unii-6y3bu8w3tc

12. Ec 695-268-4

13. Schembl1393764

14. Chembl4534399

15. Dtxsid10471464

16. Tert-butyl4-(6-aminopyridin-3-yl)piperazine-1-carboxylate

17. Bcp09472

18. Cs-b0332

19. Zinc19733972

20. Akos005256818

21. Gs-5930

22. Sb17636

23. Ac-29705

24. Am804059

25. Sy034775

26. Ft-0689713

27. En300-64671

28. A856450

29. 1-tert-butoxycarbonyl-4-(6-amino-3-pyridyl)piperazine

30. T-butyl 4-(6-aminopyridin-3-yl)piperazine-1-carboxylate

31. Z1262270052

32. 4-(6-amino-3-pyridyl)piperazine-1-carboxylic Acid Tert-butyl Ester

33. 2-methyl-2-propanyl 4-(6-amino-3-pyridinyl)-1-piperazinecarboxylate

34. 4(6-amino-pyridin-3-yl)-piperazine-1-carboxylic Acid Tert-butyl Ester

35. 4-(6-amino-pyridin-3-yl)-piperazine-1-carboxyic Acid Tert-butyl Ester

36. 4-(6-amino-pyridin-3-yl)-piperazine-1-carboxylic Acid Tert-butyl Ester

37. 4-(6-amino-pyridin-3yl)-piperazine-1-carboxylic Acid Tert-butyl Ester

2.4 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₂₂N₄O₂
Molecular Weight	278.35 g/mol
XLogP3	1.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	278.17427596 g/mol
Monoisotopic Mass	278.17427596 g/mol
Topological Polar Surface Area	71.7 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	335
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