CAS 120014-30-4 | 1H-Inden-1-one, 2,3-dihydro-5,6-dimethoxy-2-(4-piperidinylmethyl)- | CAS Number 120014-30-4

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120014-30-4 | 1H-Inden-1-one, 2,3-dihydro-5,6-dimethoxy-2-(4-piperidinylmethyl)-

CAS No: 120014-30-4 Catalog No: AG000Q3J MDL No:MFCD08460096

Product Description

Catalog Number:

AG000Q3J

Chemical Name:

1H-Inden-1-one, 2,3-dihydro-5,6-dimethoxy-2-(4-piperidinylmethyl)-

CAS Number:

120014-30-4

Molecular Formula:

C17H23NO3

Molecular Weight:

289.3694

MDL Number:

MFCD08460096

IUPAC Name:

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

InChI:

InChI=1S/C17H23NO3/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

InChI Key:

PGBZORAISITZTF-UHFFFAOYSA-N

SMILES:

COc1cc2c(cc1OC)CC(C2=O)CC1CCNCC1

EC Number:

601-654-5

Properties

Complexity:

367

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

289.168g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

289.375g/mol

Monoisotopic Mass:

289.168g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

47.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3

Literature

Title	Journal
Tacrine-based dual binding site acetylcholinesterase inhibitors as potential disease-modifying anti-Alzheimer drug candidates.	Chemico-biological interactions 20100906
Novel donepezil-based inhibitors of acetyl- and butyrylcholinesterase and acetylcholinesterase-induced beta-amyloid aggregation.	Journal of medicinal chemistry 20080626