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Also known as: 84449-80-9, 4-(2-(piperidin-1-yl)ethoxy)benzoic acid hydrochloride, 4-[2-(1-pipiridine)ethoxybenzoic acid hydrochloride, 166975-76-4, 4-[2-(1-piperidyl)ethoxy]benzoic acid hydrochloride, 4-(2-piperidinoethoxy)benzoic acid hcl
Molecular Formula
C14H20ClNO3
Molecular Weight
285.76  g/mol
InChI Key
CMVTYSMYHSVDIU-UHFFFAOYSA-N

CAS 84449-80-9
1 2D Structure

CAS 84449-80-9

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-(2-piperidin-1-ylethoxy)benzoic acid;hydrochloride
2.1.2 InChI
InChI=1S/C14H19NO3.ClH/c16-14(17)12-4-6-13(7-5-12)18-11-10-15-8-2-1-3-9-15;/h4-7H,1-3,8-11H2,(H,16,17);1H
2.1.3 InChI Key
CMVTYSMYHSVDIU-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)O.Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 84449-80-9

2. 4-(2-(piperidin-1-yl)ethoxy)benzoic Acid Hydrochloride

3. 4-[2-(1-pipiridine)ethoxybenzoic Acid Hydrochloride

4. 166975-76-4

5. 4-[2-(1-piperidyl)ethoxy]benzoic Acid Hydrochloride

6. 4-(2-piperidinoethoxy)benzoic Acid Hcl

7. 4-(2-piperidin-1-ylethoxy)benzoic Acid;hydrochloride

8. 4-(2-piperidinoethoxy)benzoic Acid, Hcl

9. 4-[2-(piperidin-1-yl)ethoxy]benzoic Acid Hydrochloride

10. Mfcd06657755

11. 4-(2-piperidinoethoxy)benzoic Acid Hydrochloride(1:1)

12. 4-[2-piperidinoethoxy]benzoic Acid Hydrochloride

13. 4-[2-(1-piperidinyl)ethoxy]benzoic Acid Hydrochloride Salt

14. Benzoic Acid, 4-[2-(1-piperidinyl)ethoxy]-, Hydrochloride

15. 4-(2-(piperidin-1-yl)ethoxy)-benzoic Acid Hydrochloride

16. 4-[2-(1-pyrrolidinyl) Ethoxy] Benzoic Acid Hydrochloride

17. Benzoic Acid, 4-(2-(1-piperidinyl)ethoxy)-, Hydrochloride

18. Einecs 282-882-9

19. 4-(2-piperidin-1-yl-ethoxy)benzoic Acid Hydrochloride

20. 4-(2-piperidin-1-ylethoxy)benzoic Acid Hydrochloride

21. 4-(2-piperidin-1-yl-ethoxy)-benzoic Acid Hydrochloride

22. Dsstox_cid_31630

23. Dsstox_rid_97514

24. Dsstox_gsid_57841

25. Schembl228100

26. Chembl3560778

27. Dtxsid4057841

28. Bcp08881

29. Tox21_113785

30. Akos000441572

31. Ac-8394

32. Cs-w021983

33. Sb43121

34. Ncgc00253659-01

35. 4-(2-(1-piperidiny)ethoxy)benzoic Acid

36. As-11052

37. Sy017666

38. Cas-84449-80-9

39. Am20050067

40. Ft-0641957

41. Ft-0655452

42. Ft-0673937

43. 4-(2-piperidinoethoxy)benzoicacidhydrochloride

44. 4-(2-(piperidin-1-yl)ethoxy)benzoic Acid Hcl

45. 4-(2-piperidinoethoxy) Benzoic Acid Hydrochloride

46. 4-(2-piperidinoethoxy)benzoic Acid, Hydrochloride

47. 4-[2-(1-piperidyl)ethoxy]benzoicacidhydrochloride

48. 449p809

49. A810806

50. A840784

51. 4-(2-piperidino-ethoxy)benzoic Acid, Hydrochloride

52. 4-(2-piperidinoethoxy)-benzoic Acid, Hydrochloride

53. J-513245

54. W-104118

55. 4-(2-piperodin-1-yl-ethoxy)-benzoic Acid Hydrochloride

56. 4-[2-(1-piperidinyl)ethoxy]benzoic Acid, Hydrochloride Salt

2.3 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 285.76 g/mol
Molecular Formula C14H20ClNO3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass285.1131712 g/mol
Monoisotopic Mass285.1131712 g/mol
Topological Polar Surface Area49.8 Ų
Heavy Atom Count19
Formal Charge0
Complexity256
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2

BUILDING BLOCK

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