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Also known as: 120013-39-0, 5,6-dimethoxy-2-(piperidin-4-ylmethyl)-2,3-dihydro-1h-inden-1-one hydrochloride, 5,6-dimethoxy-2-(piperidin-4-yl)methyl-indan-1-one hcl, 5,6-dimethoxy-2-(4-piperidylmethyl)-1-indanone hydrochloride, Desbenzyl donepezil hydrochloride, 5,6-dimethoxy-2-(piperidin-4-ylmethyl)-2,3-dihydroinden-1-one;hydrochloride
Molecular Formula
C17H24ClNO3
Molecular Weight
325.8  g/mol
InChI Key
WOZXDQQCMZIQEG-UHFFFAOYSA-N

CAS 120013-39-0
1 2D Structure

CAS 120013-39-0

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
5,6-dimethoxy-2-(piperidin-4-ylmethyl)-2,3-dihydroinden-1-one;hydrochloride
2.1.2 InChI
InChI=1S/C17H23NO3.ClH/c1-20-15-9-12-8-13(7-11-3-5-18-6-4-11)17(19)14(12)10-16(15)21-2;/h9-11,13,18H,3-8H2,1-2H3;1H
2.1.3 InChI Key
WOZXDQQCMZIQEG-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COC1=C(C=C2C(=C1)CC(C2=O)CC3CCNCC3)OC.Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 120013-39-0

2. 5,6-dimethoxy-2-(piperidin-4-ylmethyl)-2,3-dihydro-1h-inden-1-one Hydrochloride

3. 5,6-dimethoxy-2-(piperidin-4-yl)methyl-indan-1-one Hcl

4. 5,6-dimethoxy-2-(4-piperidylmethyl)-1-indanone Hydrochloride

5. Desbenzyl Donepezil Hydrochloride

6. 5,6-dimethoxy-2-(piperidin-4-ylmethyl)-2,3-dihydroinden-1-one;hydrochloride

7. Mfcd09033179

8. 5,6-dimethoxy-2-(4-piperidinylmethyl)-1-indanone, Hcl

9. 5,6-dimethoxy-2-[(4-piperidyl)methyl]-1-indanone Hydrochloride

10. 2,3-dihydro-5,6-dimethoxy-2-[(4-piperidinyl)methyl]indan-1-one Hydrochloride

11. Chembl554887

12. 5,6-dimethoxy-2-(piperidin-4-yl)methylindan-1-one Hydrochloride

13. Schembl4833887

14. Amy8992

15. Dtxsid20561628

16. Act04786

17. Bcp08900

18. Akos015846059

19. Ac-6970

20. Cs-w003576

21. Gs-3114

22. Sb41041

23. 1h-inden-1-one, 2,3-dihydro-5,6-dimethoxy-2-(4-piperidinylmethyl)-, Hydrochloride (1:1)

24. Sy031027

25. D3997

26. Ft-0602055

27. 013d390

28. Q-100097

29. 5,6-dimethoxy-2-piperidin-4-ylmethyl-indan-1-one Hydrochloride

30. 5,6-dimethoxy-2-(4-piperidinylmethyl) -1-indanone Hydrochloride

31. 5,6-dimethoxy-2-(piperidin-4-yl)methylene-indan-1-one Hydrochloride

32. 5,6-dimethoxy-2-(piperidin-4-yl)methylindan-1-one Hydrochloride

33. 2,3-dihydro-5,6-dimethoxyl-2-((piperidin-4-yl)methyl)inden-1-one Hcl

34. 2,3-dihydro-5,6-dimethoxy-2-(4-piperidinylmethyl)-1h-inden-1-one Hydrochloride

35. 5,6-dimethoxy-2-(piperidin-4-ylmethyl)-2,3-dihydro-1h-inden-1-one Hcl

36. 5,6-dimethoxy-2-[(piperidin-4-yl)methyl]-2,3-dihydro-1h-inden-1-one Hydrochloride

37. 2,3-dihydro-5,6-dimethoxy-2-(4-piperidinyl)methyl-indan-1-one Inverted Exclamation Mark Currencyhcl

38. 5,6-dimethoxy-2-(piperidin-4-ylmethyl)-2,3-dihydroinden-1-one Hydrochloride;5,6-dimethoxy-2-(4-piperidinylmethyl)-1-indanone Hydrochloride

39. 5,6-dimethoxy-2-[(piperidin-4-yl)methyl]-2,3-dihydro-1h-inden-1-one--hydrogen Chloride (1/1)

2.3 Create Date
2007-02-09
3 Chemical and Physical Properties
Molecular Weight 325.8 g/mol
Molecular Formula C17H24ClNO3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass325.1444713 g/mol
Monoisotopic Mass325.1444713 g/mol
Topological Polar Surface Area47.6 Ų
Heavy Atom Count22
Formal Charge0
Complexity367
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2

BUILDING BLOCK

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