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2D Structure
Also known as: 39742-60-4, 1-phenethylpiperidin-4-one, 1-(2-phenylethyl)piperidin-4-one, N-(2-phenylethyl)-4-piperidone, 1-(2-phenethyl)-4-piperidone, N-phenethyl-4-piperidinone
Molecular Formula
C13H17NO
Molecular Weight
203.28  g/mol
InChI Key
YDJXNYNKKXZBMP-UHFFFAOYSA-N
FDA UNII
CIS0S4O95K

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-(2-phenylethyl)piperidin-4-one
2.1.2 InChI
InChI=1S/C13H17NO/c15-13-7-10-14(11-8-13)9-6-12-4-2-1-3-5-12/h1-5H,6-11H2
2.1.3 InChI Key
YDJXNYNKKXZBMP-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CN(CCC1=O)CCC2=CC=CC=C2
2.2 Other Identifiers
2.2.1 UNII
CIS0S4O95K
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 39742-60-4

2. 1-phenethylpiperidin-4-one

3. 1-(2-phenylethyl)piperidin-4-one

4. N-(2-phenylethyl)-4-piperidone

5. 1-(2-phenethyl)-4-piperidone

6. N-phenethyl-4-piperidinone

7. 4-piperidinone, 1-(2-phenylethyl)-

8. N-phenethyl-4-piperidone

9. 1-(2-phenylethyl)-4-piperidone

10. 4-piperidone, 1-phenethyl-

11. 1-(2-phenylethyl)-4-piperidinone

12. Nsc 74494

13. N-phenethylpiperidin-4-one

14. Cis0s4o95k

15. Nsc-74494

16. 1-(beta-phenethyl)-4-piperidone

17. 1-(beta-phenethyl)piperidone

18. Einecs 254-613-5

19. Unii-cis0s4o95k

20. Brn 0130302

21. N-(2-phenethyl)-4-piperidone

22. Nsc74494

23. Mfcd00006193

24. Phenethylpiperidin-4-one

25. 1-phenylethyl-4-piperidone

26. 1-phenethyl-4-piperidinone

27. Oprea1_317085

28. 5-21-06-00425 (beilstein Handbook Reference)

29. Schembl486687

30. 1-(.beta.-phenethyl)piperidone

31. Dtxsid30192826

32. 1-phenethyl-4-piperidone, 98%

33. Hms1614l13

34. N-(2-phenylethyl)-4-piperidinone

35. Zinc119408

36. Act06239

37. Bcp22016

38. 1-(.beta.-phenethyl)-4-piperidone

39. N-(beta-phenylethyl)-4-piperidinone

40. 4-oxo-1-(2-phenyl-ethyl)-piperidine

41. Akos000167639

42. Ac-7234

43. Am85338

44. Cs-w019878

45. Bp-12535

46. J83.625g

47. Db-024415

48. P1107

49. En300-42204

50. Sr-01000504718

51. Q6951396

52. Sr-01000504718-1

53. W-106406

54. F8881-6021

55. Z139294456

2.4 Create Date
2005-03-26
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
Complexity199
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1