CAS 70918-00-2

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5 End Use APIs
12 Related Intermediates

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Also known as: 70918-00-2, N-[(1,4-benzodioxan-2-yl)carbonyl]piperazine, 1-(1,4-benzodioxane-2-carbonyl)piperazine, (2,3-dihydro-benzo[1,4]dioxin-2-yl)-piperazin-1-yl-methanone, N-1,4-benzodioxane-2-carbonyl piperazine, 2-(1-piperazinylcarbonyl)-1,4-benzodioxane

Molecular Formula

C₁₃H₁₆N₂O₃

Molecular Weight

248.28 g/mol

InChI Key

FLUPDJNTYCSBJZ-UHFFFAOYSA-N

FDA UNII

53FEH46OYE

1 2D Structure

CAS 70918-00-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2,3-dihydro-1,4-benzodioxin-3-yl(piperazin-1-yl)methanone

2.1.2 InChI

InChI=1S/C13H16N2O3/c16-13(15-7-5-14-6-8-15)12-9-17-10-3-1-2-4-11(10)18-12/h1-4,12,14H,5-9H2

2.1.3 InChI Key

FLUPDJNTYCSBJZ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CN(CCN1)C(=O)C2COC3=CC=CC=C3O2

2.2 Other Identifiers

2.2.1 UNII

53FEH46OYE

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 70918-00-2

2. N-[(1,4-benzodioxan-2-yl)carbonyl]piperazine

3. 1-(1,4-benzodioxane-2-carbonyl)piperazine

4. (2,3-dihydro-benzo[1,4]dioxin-2-yl)-piperazin-1-yl-methanone

5. N-1,4-benzodioxane-2-carbonyl Piperazine

6. 2-(1-piperazinylcarbonyl)-1,4-benzodioxane

7. 1-(2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl)-piperazine

8. 2,3-dihydro-1,4-benzodioxin-3-yl(piperazin-1-yl)methanone

9. 1,4-benzodioxan-2-carboxypiperazine

10. 53feh46oye

11. 1-(2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl)piperazine

12. 1-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)piperazine

13. 2,3-dihydro-1,4-benzodioxin-2-yl(piperazino)methanone

14. 2,3-dihydro-1,4-benzodioxin-2-yl(piperazin-1-yl)methanone

15. Piperazine, 1-[(2,3-dihydro-1,4-benzodioxin-2-yl)carbonyl]-

16. (1,4-benzodioxan-2-yl-carbonyl)piperazine

17. Bionet2_001597

18. Unii-53feh46oye

19. 1-[(2rs)-2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl]piperazine

20. (2,3-dihydrobenzo(b)(1,4)dioxin-2-yl)(piperazin-1-yl)methanone

21. 1-((2rs)-2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl)piperazine

22. Piperazine, 1-((2,3-dihydro-1,4-benzodioxin-2-yl)carbonyl)-

23. Maybridge1_005103

24. N-(1,4-benzodioxan-2-yl-carbonyl)piperazine

25. Doxazosin Impurity B

26. Ec 700-374-1

27. Oprea1_573270

28. Schembl610143

29. 1-[(2,3-dihydro-1,4-benzodioxan-2-yl)carbonyl]piperazine

30. Dtxsid10867969

31. Hms1368k05

32. Albb-004718

33. Bbl004491

34. Mfcd01837119

35. Stk501315

36. Akos000198889

37. Akos016050231

38. Ab14864

39. Ab29462

40. Ac-6645

41. Ccg-251093

42. Cs-w010225

43. 2-(piperazinocarbonyl)-1,4-benzodioxane

44. (1,4-benzodioxan-2-ylcarbonyl)piperazine

45. N-(1,4-benzodioxan-2-carbonyl)piperazine

46. Db-016269

47. N-(1,4-benzodioxan-2-carbonyl)-piperazine

48. A9321

49. Ft-0630312

50. N-(1,4-benzodioxan-2-ylcarbonyl)piperazine

51. P1836

52. 1-(1,4-benzodioxan-2-yl-carbonyl)piperazine

53. 1-[(1,4-benzodioxan-2-yl)carbonyl]piperazine

54. 1x-0816

55. 918b002

56. An-708/37277001

57. 1-(1,4-benzodioxan-2-ylcarbonyl)piperazine

58. Doxazosin Mesilate Impurity B [ep Impurity]

59. Q27261107

60. Z56347424

61. Usp Doxazosin Related Compound A [usp Impurity]

62. (2,3-dihydrobenzo[1,4]dioxin-2-yl)piperazin-1-ylmethanone

63. (2,3-dihydro-1,4-benzodioxin-2-yl)(piperazin-1-yl)methanone

64. (2,3-dihydrobenzo(1,4)dioxin-2-yl)piperazin-1-yl-methanone

65. (2,3-dihydro-benzo[1,4]dioxin-2-yl)-piperazin-1-yl -methanone

66. (2,3-dihydrobenzo[b][1,4]dioxin-2-yl) (piperazin-1-yl)methanone

67. (2,3-dihydrobenzo[b][1,4]dioxin-3-yl) (piperazin-1-yl)methanone

68. 1-((2,3-dihydro-1,4-benzodioxin-2-yl)carbonyl)piperazine

69. (+/-)-1-(2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl)piperazine

70. Methanone, (2,3-dihydro-1,4-benzodioxin-2-yl)-1-piperazinyl-

71. N-[(1,4-benzodioxan-2-yl)carbonyl]piperazine Hydrochloride, Aldrichcpr

2.4 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₁₆N₂O₃
Molecular Weight	248.28 g/mol
XLogP3	0.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	248.11609238 g/mol
Monoisotopic Mass	248.11609238 g/mol
Topological Polar Surface Area	50.8 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	305
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1