CAS 120013-39-0

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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

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 Formula	C₁₇H₂₄ClNO₃
Molecular Weight	325.8 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	325.1444713 g/mol
Monoisotopic Mass	325.1444713 g/mol
Topological Polar Surface Area	47.6 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	367
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2