CAS 4727-72-4

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Also known as: 1-benzylpiperidin-4-ol, 4727-72-4, 1-benzyl-4-piperidinol, N-benzyl-4-hydroxypiperidine, 1-benzyl-piperidin-4-ol, 4-piperidinol, 1-(phenylmethyl)-

Molecular Formula

C₁₂H₁₇NO

Molecular Weight

191.27 g/mol

InChI Key

BPPZXJZYCOETDA-UHFFFAOYSA-N

1 2D Structure

CAS 4727-72-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-benzylpiperidin-4-ol

2.1.2 InChI

InChI=1S/C12H17NO/c14-12-6-8-13(9-7-12)10-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2

2.1.3 InChI Key

BPPZXJZYCOETDA-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CN(CCC1O)CC2=CC=CC=C2

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1-benzylpiperidin-4-ol

2. 4727-72-4

3. 1-benzyl-4-piperidinol

4. N-benzyl-4-hydroxypiperidine

5. 1-benzyl-piperidin-4-ol

6. 4-piperidinol, 1-(phenylmethyl)-

7. N-benzyl-4-hydroxy Piperidine

8. N-benzyl-4-piperidinol

9. 1-benzyl-4-hydroxy Piperidine

10. 1-(phenylmethyl)piperidin-4-ol

11. 1-(phenylmethyl)-4-piperidinol

12. Chembl4796237

13. Nsc72991

14. Einecs 225-226-9

15. Mfcd00006503

16. N-benzylpiperidin-4-ol

17. Maybridge4_002103

18. 4-piperidinol, 1-benzyl-

19. 1-benzyl-4-hydroxpiperidine

20. 4-hydroxy-l-benzylpiperidine

21. 4-hydroxy-n-benzylpiperidine

22. Oprea1_200507

23. 1-phenylmethyl-4-piperidinol

24. 4-hydroxy-1-benzylpiperidine

25. 1-benyl-4-hydroxy-piperidine

26. 4-hydroxy-n-benzyl Piperidine

27. N-benzyl-4-hydroxy-piperidine

28. Schembl266138

29. 1-benzyl-4-hydroxy-piperidine

30. 1-?benzyl-4-hydroxypiperidine

31. Bppzxjzycoetda-uhfffaoysa-

32. Dtxsid80197083

33. Hms1526p13

34. Zinc119568

35. Act04218

36. Bcp22285

37. 1-benzyl-4-hydroxypiperidine, 96%

38. Ab6308

39. Bdbm50564576

40. Ccg-43889

41. Nsc 72991

42. Nsc-72991

43. Akos000249633

44. Ac-2765

45. Cs-w001904

46. Lf-0533

47. Sb42956

48. Ncgc00176919-01

49. Am100849

50. 1-benzyl-piperidine-3,3,5,5-d4-4-ol

51. Db-013311

52. Bb 0220514

53. Ft-0635414

54. Ft-0663026

55. Ft-0663027

56. N-benzyl-4-hydroxypiperidine N-benzyl-4-piperidinol

57. Sr-01000633765-1

58. W-106077

59. Brd-k42476738-001-01-4

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₁₇NO
Molecular Weight	191.27 g/mol
XLogP3	1.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	191.131014166 g/mol
Monoisotopic Mass	191.131014166 g/mol
Topological Polar Surface Area	23.5 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	158
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