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Home Other Building Blocks 1H-Inden-1-one, 2,3-dihydro-6-hydroxy-5-methoxy-2-[[1-(phenylmethyl)-4-piperidinyl]methyl]-

1H-Inden-1-one, 2,3-dihydro-6-hydroxy-5-methoxy-2-[[1-(phenylmethyl)-4-piperidinyl]methyl]-

CAS No.:
120013-56-1
Catalog Number:
AG000Q2O
Molecular Formula:
C23H27NO3
Molecular Weight:
365.4654
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Product Description
Catalog Number:
AG000Q2O
Chemical Name:
1H-Inden-1-one, 2,3-dihydro-6-hydroxy-5-methoxy-2-[[1-(phenylmethyl)-4-piperidinyl]methyl]-
CAS Number:
120013-56-1
Molecular Formula:
C23H27NO3
Molecular Weight:
365.4654
MDL Number:
MFCD08705296
IUPAC Name:
2-[(1-benzylpiperidin-4-yl)methyl]-6-hydroxy-5-methoxy-2,3-dihydroinden-1-one
InChI:
InChI=1S/C23H27NO3/c1-27-22-13-18-12-19(23(26)20(18)14-21(22)25)11-16-7-9-24(10-8-16)15-17-5-3-2-4-6-17/h2-6,13-14,16,19,25H,7-12,15H2,1H3
InChI Key:
DJRBBQJREIMIEU-UHFFFAOYSA-N
SMILES:
COc1cc2CC(C(=O)c2cc1O)CC1CCN(CC1)Cc1ccccc1
Properties
Complexity:
496  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.199g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
365.473g/mol
Monoisotopic Mass:
365.199g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
Literature
Title Journal
ESI-MS/MS stability-indicating bioanalytical method development and validation for simultaneous estimation of donepezil, 5-desmethyl donepezil and 6-desmethyl donepezil in human plasma. Biomedical chromatography : BMC 20120501
A rapid and sensitive LC-MS/MS method for quantification of donepezil and its active metabolite, 6-o-desmethyl donepezil in human plasma and its pharmacokinetic application. Biomedical chromatography : BMC 20110801
Quantitation of donepezil and its active metabolite 6-O-desmethyl donepezil in human plasma by a selective and sensitive liquid chromatography-tandem mass spectrometric method. Analytica chimica acta 20081123
Properties