CAS 50541-93-0

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Chemistry

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Also known as: 50541-93-0, 1-benzylpiperidin-4-amine, 1-benzyl-4-aminopiperidine, 1-(phenylmethyl)-4-piperidinamine, 1-benzyl-piperidin-4-ylamine, 1-benzyl-4-piperidylamine

Molecular Formula

C₁₂H₁₈N₂

Molecular Weight

190.28 g/mol

InChI Key

YUBDLZGUSSWQSS-UHFFFAOYSA-N

FDA UNII

6QX28DE295

1 2D Structure

CAS 50541-93-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-benzylpiperidin-4-amine

2.1.2 InChI

InChI=1S/C12H18N2/c13-12-6-8-14(9-7-12)10-11-4-2-1-3-5-11/h1-5,12H,6-10,13H2

2.1.3 InChI Key

YUBDLZGUSSWQSS-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CN(CCC1N)CC2=CC=CC=C2

2.2 Other Identifiers

2.2.1 UNII

6QX28DE295

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 50541-93-0

2. 1-benzylpiperidin-4-amine

3. 1-benzyl-4-aminopiperidine

4. 1-(phenylmethyl)-4-piperidinamine

5. 1-benzyl-piperidin-4-ylamine

6. 1-benzyl-4-piperidylamine

7. 4-piperidinamine, 1-(phenylmethyl)-

8. N-benzyl-4-aminopiperidine

9. N-benzyl-4-amino Piperidine

10. 4-amino-1-benzyl-piperidine

11. 4-amino-n-benzylpiperidine

12. Mfcd00006504

13. 4-amino-1-benzyl Piperidine

14. 1-benzyl-4-piperidinamine

15. 1-benzyl-4-piperidinylamine

16. 1-benzylpiperidin-4-ylamine

17. 1-benzyl-4-amino Piperidine

18. (1-benzylpiperidin-4-yl)amine

19. 6qx28de295

20. 4-amino-1-n-benzylpiperidine

21. Einecs 256-620-9

22. Benzylpiperidin-4-amine

23. 4-amino1-benzylpiperidine

24. Chemdiv2_003367

25. 4-amino-1-benzylpiperdine

26. 1-benzyl-4-piperidineamine

27. 1-benzylpiperidine-4-amine

28. 1-benzyl-piperidin-4-amine

29. N-(4-aminobenzyl)piperidine

30. 4-amino-n-benzyl Piperidine

31. 1-benzyl 4-amino Piperidine

32. 1-benzyl-4-amino-piperidine

33. 1-benzyl-piperidin-4-ylamin

34. 1-benzyl-piperidine-4-amine

35. 4- Amino-1-benzylpiperidine

36. 4-amino-1-benzyl-piperadine

37. Oprea1_198193

38. Phenylmethyl-4-piperidinamine

39. Schembl42207

40. 1-(benzyl)-4-piperidinamine

41. Phenylmethyl 4-aminopiperidine

42. 1-benzyl-4-piperidinamine #

43. Unii-6qx28de295

44. 1-benzyl-piperidin-4-yl-amine

45. Chembl366500

46. 1-phenylmethyl-4-piperidinamine

47. 4-amino-1-phenylmethylpiperidine

48. 1-(phenylmethyl)4-piperidinamine

49. Dtxsid60198578

50. 4-amino1-(phenylmethyl)piperidine

51. Hms1378j01

52. 2-amino-1-benzylpiperidine

53. 4-amino-1-benzylpiperidine, 98%

54. 4-piperidinamine,1-(phenylmethyl)

55. 1-(phenylmethyl)-4-piperidineamine

56. 4-amino-1-(phenylmethyl)piperidine

57. Albb-004684

58. Bcp20574

59. 4-amino-1-(phenylmethyl)-piperidine

60. Nsc730607

61. Stk397849

62. Zinc19230129

63. Akos000119508

64. Ab00776

65. Ac-2456

66. Cs-w009234

67. Lf-0510

68. Nsc 730607

69. Nsc-730607

70. Sdccgmls-0066225.p001

71. Db-031012

72. A7492

73. Am20060363

74. Bb 0241889

75. Ft-0617429

76. Sr-01000597197

77. J-513823

78. Sr-01000597197-1

79. W-105952

80. Z1245664619

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₁₈N₂
Molecular Weight	190.28 g/mol
XLogP3	1.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	190.146998583 g/mol
Monoisotopic Mass	190.146998583 g/mol
Topological Polar Surface Area	29.3 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	156
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	1