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ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: 129-77-1, Crapinon, Piperidolate hcl, Edelel hydrochloride, Dactil hydrochloride, Piperidolate (hydrochloride)

Molecular Formula

C₂₁H₂₆ClNO₂

Molecular Weight

359.9 g/mol

InChI Key

RBGWCEWDAHDPEH-UHFFFAOYSA-N

FDA UNII

57UA660ILV

1 2D Structure

Piperidolate Hydrochloride

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(1-ethylpiperidin-3-yl) 2,2-diphenylacetate;hydrochloride

2.1.2 InChI

InChI=1S/C21H25NO2.ClH/c1-2-22-15-9-14-19(16-22)24-21(23)20(17-10-5-3-6-11-17)18-12-7-4-8-13-18;/h3-8,10-13,19-20H,2,9,14-16H2,1H3;1H

2.1.3 InChI Key

RBGWCEWDAHDPEH-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCN1CCCC(C1)OC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3.Cl

2.2 Other Identifiers

2.2.1 UNII

57UA660ILV

2.3 Synonyms

2.3.1 MeSH Synonyms

1. N-ethyl-3-piperidyl Diphenylacetate

2. Piperidolate

2.3.2 Depositor-Supplied Synonyms

1. 129-77-1

2. Crapinon

3. Piperidolate Hcl

4. Edelel Hydrochloride

5. Dactil Hydrochloride

6. Piperidolate (hydrochloride)

7. 1-ethyl-3-piperidyl Diphenylacetate Hydrochloride

8. Piperidolate Hydrochloride [jan]

9. N-ethyl-3-piperidyl Diphenylacetate Hydrochloride

10. 57ua660ilv

11. Nsc-4349

12. Dsstox_cid_25292

13. Dsstox_rid_80785

14. Dsstox_gsid_45292

15. Piperidolate Hydrochloride (jan)

16. (1-ethylpiperidin-3-yl) 2,2-diphenylacetate;hydrochloride

17. An 1087

18. Nsc 4349

19. Einecs 204-964-5

20. Unii-57ua660ilv

21. Ai3-24445

22. Sr-05000001603

23. Dactil (tn)

24. Piperidolate Hydrochloride [usp:jan]

25. 3-piperidinol, 1-ethyl-, Diphenylacetate, Hydrochloride

26. Diphenylacetic Acid, 1-ethyl-3-piperidyl Ester Hydrochloride

27. Piperidilate Hydrochloride

28. Ncgc00016390-01

29. Cas-129-77-1

30. Mls002154130

31. Schembl437741

32. Spectrum1502197

33. Piperidolatehydrochloride

34. 1-ethylpiperidin-3-yl 2,2-diphenylacetate Hydrochloride

35. Chembl1511957

36. Dtxsid6045292

37. Chebi:32007

38. Nsc4349

39. Diphenylacetic Acid, Hydrochloride

40. Hms1571c12

41. Hms1921l16

42. Pharmakon1600-01502197

43. Bcp29729

44. Ex-a3770

45. Hy-b0962

46. Tox21_110415

47. Ccg-39269

48. J.b. 305

49. Nsc758193

50. Acetic Acid, Diphenyl-, 1-ethyl-3-piperidyl Ester, Hydrochloride

51. Benzeneacetic Acid, Alpha-phenyl-, 1-ethyl-3-piperidinyl Ester, Hydrochloride

52. Tox21_110415_1

53. Cs-4446

54. Nsc-758193

55. Piperidolate Hydrochloride [mi]

56. Ncgc00094968-01

57. Ncgc00094968-02

58. Ncgc00178395-04

59. Piperidolate Hydrochloride [mart.]

60. Smr001233437

61. Wln: T6ntj A2 Covyr & R & Gh

62. Piperidolate Hydrochloride [who-dd]

63. Ft-0757625

64. D01165

65. 3-piperidinol 1-ethyl- Diphenylacetate Hydrochloride

66. Sr-05000001603-3

67. Acetic Acid, 1-ethyl-3-piperidyl Ester Hydrochloride

68. Acetic Acid, 1-ethyl-3-piperidyl Ester, Hydrochloride

69. Q27261526

70. Acetic Acid, Diphenyl-, 1-ethyl-3-piperidyl Ester Hydrochloride

71. 3-piperidinol, 1-ethyl-, Diphenylacetate (ester), Hydrochloride

72. Benzeneacetic Acid, .alpha.-phenyl-, 1-ethyl-3-piperidinyl Ester, Hydrochloride

73. 8055-12-7

74. Benzeneacetic Acid, .alpha.-phenyl-, 1-ethyl-3-piperidinyl Ester, Hydrochloride (1:1)

2.4 Create Date

2005-06-24

3 Chemical and Physical Properties

Molecular Formula	C₂₁H₂₆ClNO₂
Molecular Weight	359.9 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	359.1652068 g/mol
Monoisotopic Mass	359.1652068 g/mol
Topological Polar Surface Area	29.5 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	367
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