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2D Structure
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

2D Structure

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 Weight 278.35 g/mol
Molecular Formula C14H22N4O2
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass278.17427596 g/mol
Monoisotopic Mass278.17427596 g/mol
Topological Polar Surface Area71.7 Ų
Heavy Atom Count20
Formal Charge0
Complexity335
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1