CAS 14813-01-5

Chemistry, 1 End Use API, 1 Related Intermediates

Manufacturers/Suppliers

1 Suppliers

1 Suppliers

Also known as: 14813-01-5, 1-benzyl-3-piperidinol, 1-benzyl-3-hydroxypiperidine, N-benzyl-3-hydroxypiperidine, 3-piperidinol, 1-(phenylmethyl)-, 1-n-benzyl-3-hydroxy-piperidine

Molecular Formula

C₁₂H₁₇NO

Molecular Weight

191.27 g/mol

InChI Key

UTTCOAGPVHRUFO-UHFFFAOYSA-N

1 2D Structure

CAS 14813-01-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-benzylpiperidin-3-ol

2.1.2 InChI

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

2.1.3 InChI Key

UTTCOAGPVHRUFO-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CC(CN(C1)CC2=CC=CC=C2)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 14813-01-5

2. 1-benzyl-3-piperidinol

3. 1-benzyl-3-hydroxypiperidine

4. N-benzyl-3-hydroxypiperidine

5. 3-piperidinol, 1-(phenylmethyl)-

6. 1-n-benzyl-3-hydroxy-piperidine

7. Mfcd00023734

8. Chembl1504199

9. 1-benzyl-3-hydroxypiperidine Hydrochloride

10. Einecs 238-881-0

11. Nsc111182

12. N-benzyl-3-piperidinol

13. Chemdiv3_003156

14. Cambridge Id 5263552

15. Oprea1_553733

16. Mls000532403

17. Schembl1552926

18. Dtxsid301309117

19. Hms1481p10

20. Hms2503a15

21. Act02098

22. Bcp23211

23. N-benzyl-3-hydroxypiperidine, 97%

24. Bdbm50564577

25. Stk913780

26. Akos001652928

27. Akos016050341

28. Ab05871

29. Ab14841

30. Ac-5325

31. Cs-w015840

32. Lf-0535

33. Nsc 111182

34. Nsc-111182

35. Sb41081

36. Sdccgmls-0065815.p001

37. Ncgc00245738-01

38. Smr000137361

39. Sy007819

40. Db-012880

41. Am20030012

42. B4868

43. Ft-0637142

44. Ft-0642208

45. Ft-0642209

46. En300-131801

47. W-108108

48. Brd-a30305228-003-01-4

49. Z54753361

50. (+/-)-1-benzyl-3-hydroxy-1,2,3,5-tetrahydropyridine

51. (3-chlorophenyl)-[(9h-fluoren-9-ylmethoxycarbonylamino)]aceticacid

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₁₇NO
Molecular Weight	191.27 g/mol
XLogP3	1.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	23.5
Heavy Atom Count	14
Formal Charge	0
Complexity	166
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	1