Please Wait
Applying Filters...
Menu
Xls
2D Structure
Also known as: 22065-85-6, 1-benzyl-4-piperidinecarboxaldehyde, N-benzylpiperidine-4-carboxaldehyde, 1-benzylpiperidine-4-carboxaldehyde, 1-benzyl-4-formylpiperidine, N-benzyl piperidine-4-carboxaldehyde
Molecular Formula
C13H17NO
Molecular Weight
203.28  g/mol
InChI Key
SGIBOXBBPQRZDM-UHFFFAOYSA-N
FDA UNII
S5RKG3HX5A

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-benzylpiperidine-4-carbaldehyde
2.1.2 InChI
InChI=1S/C13H17NO/c15-11-13-6-8-14(9-7-13)10-12-4-2-1-3-5-12/h1-5,11,13H,6-10H2
2.1.3 InChI Key
SGIBOXBBPQRZDM-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CN(CCC1C=O)CC2=CC=CC=C2
2.2 Other Identifiers
2.2.1 UNII
S5RKG3HX5A
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 22065-85-6

2. 1-benzyl-4-piperidinecarboxaldehyde

3. N-benzylpiperidine-4-carboxaldehyde

4. 1-benzylpiperidine-4-carboxaldehyde

5. 1-benzyl-4-formylpiperidine

6. N-benzyl Piperidine-4-carboxaldehyde

7. 1-benzyl-piperidine-4-carbaldehyde

8. 1-benzyl-4-piperidine-carboxaldehyde

9. 4-piperidinecarboxaldehyde, 1-(phenylmethyl)-

10. N-benzyl-4-formylpiperidine

11. S5rkg3hx5a

12. 1-benzyl-4-piperidinecarbaldehyde

13. Mfcd02258902

14. Unii-s5rkg3hx5a

15. 4-formyl-n-benzylpiperidine

16. Schembl700085

17. Dtxsid20176554

18. 1-benylpiperidine-4-carboxaldehyde

19. 1-benzyl-4- Piperidinecarbaldehyde

20. 4-formyl-1-benzylpiperidine

21. Act08762

22. Albb-006394

23. Zinc2579305

24. Einecs 244-757-7

25. N-benzy-4-piperidine Carboxaldehyde

26. 1-benzyl 4-piperidine Carboxaldehyde

27. Stk400094

28. 1-benzyl-4-piperidine Carboxyaldehyde

29. (1-benzyl)piperidine-4-carboxaldehyde

30. Akos005453472

31. Ab11696

32. Ac-2104

33. Cs-w007806

34. N-benzylpiperidine-4-carbaldehyde

35. 1-(phenylmethyl)-4-piperidinecarbaldehyde

36. As-14903

37. Sy009110

38. N-benzyl-4-piperidinecarboxaldehyde

39. N-benzylpiperidine-4-carboxaldehyde, 95%

40. Db-011840

41. 4-piperidinecarboxaldehyde, 1-(phenylmethyl)

42. A4748

43. Am20050357

44. B3190

45. Bb 0262314

46. Ft-0638180

47. 1-benzyl- 4-piperidine Carboxyaldehyde

48. 065b856

49. Sr-01000944871

50. 1-(phenylmethyl)-4-piperidinecarboxaldehyde

51. Q-201450

52. Sr-01000944871-1

2.4 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 203.28 g/mol
Molecular Formula C13H17NO
XLogP31.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass203.131014166 g/mol
Monoisotopic Mass203.131014166 g/mol
Topological Polar Surface Area20.3 Ų
Heavy Atom Count15
Formal Charge0
Complexity191
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1