1-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON-2-YL)METHYL]PIPERIDINE

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as n-benzylpiperidines. These are heterocyclic Compounds containing a piperidine ring conjugated to a benzyl group through one nitrogen ring atom.

N-benzylpiperidines

Organic compounds

Organoheterocyclic compounds

Piperidines

Benzylpiperidines

Calculated Property

kind Value Source
logP 4.14 ALOGPS
logS -4.9 ALOGPS
Water Solubility 4.50e-03 g/l ALOGPS
logP 4.21 ChemAxon
IUPAC Name (2R)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-2,3-dihydro-1H-inden-1-one ChemAxon
Traditional IUPAC Name (R)-donepezil ChemAxon
Molecular Weight 379.492 ChemAxon
Monoisotopic Weight 379.214743799 ChemAxon
SMILES [H][C@@]1(CC2CCN(CC3=CC=CC=C3)CC2)CC2=CC(OC)=C(OC)C=C2C1=O ChemAxon
Molecular Formula C24H29NO3 ChemAxon
InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3/t20-/m1/s1 ChemAxon
InChIKey InChIKey=ADEBPBSSDYVVLD-HXUWFJFHSA-N ChemAxon
Polar Surface Area (PSA) 38.77 ChemAxon
Refractivity 112.11 ChemAxon
Polarizability 43.3 ChemAxon
Rotatable Bond Count 6 ChemAxon
H Bond Acceptor Count 4 ChemAxon
H Bond Donor Count 0 ChemAxon
pKa (strongest acidic) 17.02 ChemAxon
pKa (strongest basic) 8.62 ChemAxon
Physiological Charge 1 ChemAxon
Number of Rings 4 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 1 ChemAxon

Target within organism

  • Acetylcholinesterase : in Human