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CAS 1474-02-8
PharmaCompass
  • Chemistry
CAS 1474-02-8
Also known as: Benzyl fentanyl, 1474-02-8, Unii-9bv2d1a57h, N-(1-benzylpiperidin-4-yl)-n-phenylpropionamide, Nsc 73402, N-(1-benzylpiperidin-4-yl)-n-phenylpropanamide
Molecular Formula
C21H26N2O
Molecular Weight
322.452  g/mol
InChI Key
POQDXIFVWVZVML-UHFFFAOYSA-N
FDA UNII
9BV2D1A57H

Benzylfentanyl (R-4129) is a fentanyl analog. It was temporarily placed in the US Schedule I by emergency scheduling in 1985 due to concerns about its potential for abuse as a designer drug, but this placement was allowed to expire and benzylfentanyl was formally removed from controlled substance listing in 2010, after the DEA's testing determined it to be "essentially inactive" as an opioid. Benzylfentanyl has a Ki of 213nM at the mu opioid receptor, binding around 200x less strongly than fentanyl itself.
1 2D Structure

CAS 1474-02-8

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
N-(1-benzylpiperidin-4-yl)-N-phenylpropanamide
2.1.2 InChI
InChI=1S/C21H26N2O/c1-2-21(24)23(19-11-7-4-8-12-19)20-13-15-22(16-14-20)17-18-9-5-3-6-10-18/h3-12,20H,2,13-17H2,1H3
2.1.3 InChI Key
POQDXIFVWVZVML-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCC(=O)N(C1CCN(CC1)CC2=CC=CC=C2)C3=CC=CC=C3
2.2 Other Identifiers
2.2.1 UNII
9BV2D1A57H
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. Benzyl Fentanyl

2. 1474-02-8

3. Unii-9bv2d1a57h

4. N-(1-benzylpiperidin-4-yl)-n-phenylpropionamide

5. Nsc 73402

6. N-(1-benzylpiperidin-4-yl)-n-phenylpropanamide

7. Poqdxifvwvzvml-uhfffaoysa-n

8. R 4129

9. N-(1-benzyl-4-piperidinyl)-n-phenylpropanamide

10. An-651/14405020

11. Propanamide, N-phenyl-n-(1-benzyl-4-piperidinyl)-

12. Propanamide, N-phenyl-n-[1-(phenylmethyl)-4-piperidinyl]-

13. Ncgc00247689-01

14. N-benzylfentanyl

15. Dea 9818

16. Nsc73402

17. Einecs 216-014-7

18. Fentanyl Methyl Analog

19. Ac1l5lcn

20. N- -n-phenylpropionamide

21. Ac1q5i8q

22. 1-benzyl-4-(n-phenylpropionamido)piperidine

23. 9bv2d1a57h

24. Chembl172155

25. Schembl6045571

26. Dtxsid00163705

27. Molport-003-807-294

28. Zinc4808161

29. Nsc-73402

30. Akos015917921

31. Db09182

32. Ak313047

33. He061871

34. Kb-55215

35. N-(1-benzyl-4-piperidinyl)propionanilide

36. N-(1-benzyl-4-piperidyl)- Propionanilide

37. Db-012482

38. Ft-0662778

39. N-(1-benzyl-4-piperidinyl)-n-phenylpropionamide

40. N-(1-benzyl-4-piperidinyl)-n-phenylpropanamide #

41. I14-8860

42. N-phenyl-n-[1-(phenylmethyl)-4-piperidinyl]-propanamide

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 322.452 g/mol
Molecular Formula C21H26N2O
XLogP33.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass322.205 g/mol
Monoisotopic Mass322.205 g/mol
Topological Polar Surface Area23.6 A^2
Heavy Atom Count24
Formal Charge0
Complexity377
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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