CAS 58859-46-4

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21 Related Intermediates

Chemistry

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Also known as: 58859-46-4, Ethyl 4-aminopiperidine-1-carboxylate, 4-amino-1-carbethoxypiperidine, 1-piperidinecarboxylic acid, 4-amino-, ethyl ester, Mfcd00006484, 54815srp4z

Molecular Formula

C₈H₁₆N₂O₂

Molecular Weight

172.22 g/mol

InChI Key

GQQQULCEHJQUJT-UHFFFAOYSA-N

FDA UNII

54815SRP4Z

1 2D Structure

CAS 58859-46-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

ethyl 4-aminopiperidine-1-carboxylate

2.1.2 InChI

InChI=1S/C8H16N2O2/c1-2-12-8(11)10-5-3-7(9)4-6-10/h7H,2-6,9H2,1H3

2.1.3 InChI Key

GQQQULCEHJQUJT-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCOC(=O)N1CCC(CC1)N

2.2 Other Identifiers

2.2.1 UNII

54815SRP4Z

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 58859-46-4

2. Ethyl 4-aminopiperidine-1-carboxylate

3. 4-amino-1-carbethoxypiperidine

4. 1-piperidinecarboxylic Acid, 4-amino-, Ethyl Ester

5. Mfcd00006484

6. 54815srp4z

7. Ethyl-4-amino-1-piperidine Carboxylate

8. 4-amino-1-piperidinecarboxylic Acid Ethyl Ester

9. Unii-54815srp4z

10. N-carbethoxy-4-amino-piperidone

11. Ethyl 4-aminopiperidinecarboxylate

12. Einecs 261-472-3

13. Schembl382565

14. Ethyl 4-aminopiperdinecarboxylate

15. Dtxsid80207570

16. Ethyl 4-amino-piperidinecarboxylate

17. Ethyl 4-anino-piperidinecarboxylate

18. Act02116

19. Albb-005996

20. Zinc3860144

21. Ethyl-4-amino-piperidine Carboxylate

22. Stk503658

23. 1-(ethoxycarbonyl)-4-aminopiperidine

24. 4-amino-1-(ethoxycarbonyl)piperidine

25. Ethyl-4-amino-1-piperidinecarboxylate

26. Ethyl4-amino-1-piperidine Carboxylate

27. Akos000121456

28. Ethyl 4-amino-1-piperidine Carboxylate

29. Ethyl 4-amino-piperidine-1-carboxylate

30. Ethyl-4-amino-1-piperidine-carboxylate

31. Sb41087

32. Wt82056

33. Ethyl-4-amino- 1-piperidine Carboxylate

34. Ac-23899

35. As-63097

36. Sy012564

37. Db-014800

38. Bb 0254613

39. Cs-0001968

40. Ethyl 4-amino-1-piperidinecarboxylate, 96%

41. Ft-0617585

42. 4-amino-1-piperidinecarboxylicacid Ethyl Ester

43. 4-aminopiperidine-1-carboxylic Acid Ethyl Ester

44. 4-amino-1-piperidine Carboxylic Acid Ethyl Ester

45. 4-amino-1-piperidinecarboxylic Acid, Ethyl Ester

46. 4-amino-piperidine-1-carboxylic Acid Ethyl Ester

47. A832042

48. Q27261186

49. F2190-0520

2.4 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₈H₁₆N₂O₂
Molecular Weight	172.22 g/mol
XLogP3	0.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	172.121177757 g/mol
Monoisotopic Mass	172.121177757 g/mol
Topological Polar Surface Area	55.6 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	153
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