CAS 70918-74-0

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Also known as: 70918-74-0, N-(1,4-benzodioxan-2-carbonyl)piperazine hydrochloride, 2-(1-piperazinylcarbonyl)-1,4-benzodioxane hydrochloride, (2,3-dihydrobenzo[b][1,4]dioxin-2-yl)(piperazin-1-yl)methanone hydrochloride, N-[(1,4-benzodioxane-2-yl)carboxyl] piperazine hydrochloride, 2,3-dihydro-1,4-benzodioxin-3-yl(piperazin-1-yl)methanone;hydrochloride

Molecular Formula

C₁₃H₁₇ClN₂O₃

Molecular Weight

284.74 g/mol

InChI Key

TUKBWYXLYINULI-UHFFFAOYSA-N

1 2D Structure

CAS 70918-74-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

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

2.1.2 InChI

InChI=1S/C13H16N2O3.ClH/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;1H

2.1.3 InChI Key

TUKBWYXLYINULI-UHFFFAOYSA-N

2.1.4 Canonical SMILES

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

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 70918-74-0

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

3. 2-(1-piperazinylcarbonyl)-1,4-benzodioxane Hydrochloride

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

5. N-[(1,4-benzodioxane-2-yl)carboxyl] Piperazine Hydrochloride

6. 2,3-dihydro-1,4-benzodioxin-3-yl(piperazin-1-yl)methanone;hydrochloride

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

8. N-(2,3-dihydro-1,4-benzodioxane-2-carbonyl)piperazine Hydrochloride

9. (2,3-dihydro-benzo[1,4]dioxin-2-yl)-piperazin-1-yl-methanone Hcl

10. (2,3-dihydro-benzo[1,4]dioxin-2-yl)-piperazin-1-yl-methanone Hydrochloride

11. (2,3-dihydro-benzo[1,4]dioxin-2-yl)piperazine-1-yl-methanone Hydrochloride

12. N-[(1,4-benzodioxane-2-yl)carbonyl]piperazine Hydrochloride

13. (2,3-dihydrobenzo[1,4]dioxin-2-yl)piperazin-1-yl-methanone Hydrochloride

14. 1-[(2rs)-2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl]piperazine Hydrochloride

15. Doxazosin Related Compou

16. Ec 415-660-9

17. Schembl8335181

18. 2-(1-piperazinylcarbonyl)-1,4-benzodioxanehydrochloride

19. 1-(1,4-benzodioxan-2-ylcarbonyl)piperazine Hydrochloride

20. Dtxsid00384918

21. Bcp13416

22. 1-(23-dihydro-14-benzodioxin-2-ylcarbonyl)piperazine Hydrochloride

23. Mfcd00729051

24. P8b773

25. Akos015889671

26. Ac-6854

27. Cs-w002671

28. As-35636

29. Doxazosin Ep Impurity B Monohydrochloride

30. 1,4-benzodioxan-2-carbonyl Piperazine Hcl

31. Ft-0641316

32. P1890

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

34. N-(1,4-benzodioxan-2-carbonyl)piperazinehydrochloride

35. 1-[(1,4-benzodioxan-2-yl)carbonyl]piperazine Hydrochloride

36. N-[(1,4-benzodioxane-2-yl)carboxyl]piperazine Hydrochloride

37. 1-(2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl)piperazine Hydrochloride;

38. 1-[(2,3-dihydro-1,4-benzodioxin-2-yl)-carbonyl]-piperazine Hydrochloride

39. (2,3-dihydro-1,4-benzodioxin-2-yl)(piperazin-1-yl)methanone--hydrogen Chloride (1/1)

40. 1-(2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl)piperazine Hydrochloride, Aldrichcpr

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

2.3 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₁₇ClN₂O₃
Molecular Weight	284.74 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	284.0927701 g/mol
Monoisotopic Mass	284.0927701 g/mol
Topological Polar Surface Area	50.8 Å²
Heavy Atom Count	19
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	2