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ACTIVE PHARMA INGREDIENTS

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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

1 2D Structure

4-(2-Piperidinoethoxy)Benzoic Acid Hydrochloride API

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 Formula	C₁₄H₂₀ClNO₃
Molecular Weight	285.76 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	285.1131712 g/mol
Monoisotopic Mass	285.1131712 g/mol
Topological Polar Surface Area	49.8 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	256
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	2