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Overview of CAS 571188-59-5

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4CH-018472
PharmaCompass
4CH-018472
Also known as: 571188-59-5, Tert-butyl 4-(6-aminopyridin-3-yl)piperazine-1-carboxylate, 1-boc-4-(6-aminopyridin-3-yl)piperazine, Tert-butyl 4-(6-amino-3-pyridyl)piperazine-1-carboxylate, Otava-bb 1207229, Mfcd11594962
Molecular Formula
C14H22N4O2
Molecular Weight
278.356  g/mol
InChI Key
RMULRXHUNOVPEI-UHFFFAOYSA-N

1 2D Structure

4CH-018472

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 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 571188-59-5

2. Tert-butyl 4-(6-aminopyridin-3-yl)piperazine-1-carboxylate

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

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

5. Otava-bb 1207229

6. Mfcd11594962

7. 4-(6-amino-3-pyridyl)-1-boc-piperazine

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

9. Ac1q1n6c

10. Schembl1393764

11. Ctk8b9825

12. Dtxsid10471464

13. Molport-006-727-803

14. Rmulrxhunovpei-uhfffaoysa-n

15. Cs-b0332

16. Anw-63223

17. Zinc19733972

18. Akos005256818

19. Acn-036211

20. Cm11096

21. Cm14181

22. Gs-5930

23. Mcule-2173728465

24. Ne48913

25. Qc-8977

26. Ks-0000065x

27. Ak-87907

28. Am804059

29. An-17201

30. En000484

31. He057227

32. Kb-11461

33. St2407687

34. Tc-151968

35. 4ch-018472

36. Ft-0689713

37. En300-64671

38. 1-tert-butoxycarbonyl-4-(6-amino-3-pyridyl)piperazine

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

40. Z1262270052

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

42. 4-(6-amino-3-pyridyl)piperazine-1-carboxylic Acid Tert-butyl Ester

43. 2-methyl-2-propanyl 4-(6-amino-3-pyridinyl)-1-piperazinecarboxylate

44. 4(6-amino-pyridin-3-yl)-piperazine-1-carboxylic Acid Tert-butyl Ester

45. 4-(6-amino-pyridin-3-yl)-piperazine-1-carboxyic Acid Tert-butyl Ester

46. 4-(6-amino-pyridin-3-yl)-piperazine-1-carboxylic Acid Tert-butyl Ester

47. 4-(6-amino-pyridin-3yl)-piperazine-1-carboxylic Acid Tert-butyl Ester

48. 4-(6-aminopyridin-3-yl)piperazine-1-carboxylic Acid Tert-butyl Ester

49. 4-(6-aminopyridin-3-yl)piperazine-1-carboxylic Acid Tert-butyl Ester; 4-(6-aminopyridin-3-yl)piperazine-1-carboxylic Acid Tert-butyl Ester

2.3 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 278.356 g/mol
Molecular Formula C14H22N4O2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass278.174 g/mol
Monoisotopic Mass278.174 g/mol
Topological Polar Surface Area71.7 A^2
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
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