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2D Structure
Also known as: 1-ethylpiperidin-4-one, 3612-18-8, 4-piperidinone, 1-ethyl-, N-ethyl-4-piperidone, Mfcd00013356, 1-ethyl-4-piperidinone
Molecular Formula
C7H13NO
Molecular Weight
127.18  g/mol
InChI Key
BDVKAMAALQXGLM-UHFFFAOYSA-N
FDA UNII
NDD4A44NG2

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-ethylpiperidin-4-one
2.1.2 InChI
InChI=1S/C7H13NO/c1-2-8-5-3-7(9)4-6-8/h2-6H2,1H3
2.1.3 InChI Key
BDVKAMAALQXGLM-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCN1CCC(=O)CC1
2.2 Other Identifiers
2.2.1 UNII
NDD4A44NG2
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 1-ethylpiperidin-4-one

2. 3612-18-8

3. 4-piperidinone, 1-ethyl-

4. N-ethyl-4-piperidone

5. Mfcd00013356

6. 1-ethyl-4-piperidinone

7. 1-ethyl-4-oxopiperidine

8. 1-ethyl-piperidin-4-one

9. Ndd4a44ng2

10. Einecs 222-781-9

11. N-ethylpiperid-4-one

12. Unii-ndd4a44ng2

13. 1-(ethyl)piperidin-4-one

14. 1-ethyl-4-piperidinone #

15. Schembl124152

16. 1-ethyl-4-piperidone, 98%

17. Amy5271

18. Dtxsid70189694

19. Act04212

20. Zinc2560372

21. Bbl011452

22. Stl146564

23. Akos000119426

24. Ps-4025

25. Sb41093

26. Sy001787

27. Db-019171

28. Cs-0046794

29. E0498

30. Ft-0634928

31. Nn-diethyl-1h-indole-1-carboxamide97

32. W-106642

33. F0001-1037

2.4 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 127.18 g/mol
Molecular Formula C7H13NO
XLogP30.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass127.099714038 g/mol
Monoisotopic Mass127.099714038 g/mol
Topological Polar Surface Area20.3 Ų
Heavy Atom Count9
Formal Charge0
Complexity102
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1