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CHEMISTRY
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ACTIVE PHARMA INGREDIENTS

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1 USDMF

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Chemistry

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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

N-Benzyl-4-Formylpiperidine

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 Formula	C₁₃H₁₇NO
Molecular Weight	203.28 g/mol
XLogP3	1.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	203.131014166 g/mol
Monoisotopic Mass	203.131014166 g/mol
Topological Polar Surface Area	20.3 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	191
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