1.0 2016-09-30 23:14:57 UTC 2020-05-11 19:32:29 UTC BMDB0005041 BMDB05041 Donepezil Donepezilo Donepezilum Donaz Aricept Aricept odt Donepezil hydrochloride 1-Benzyl-4-((5,6-dimethoxy-1-indanon)-2-yl)methylpiperidine hydrochloride Donepezilium oxalate trihydrate Eranz C24H29NO3 379.492 379.214743799 2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-2,3-dihydro-1H-inden-1-one donepezil 120014-06-4 COC1=C(OC)C=C2C(=O)C(CC3CCN(CC4=CC=CC=C4)CC3)CC2=C1 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 ADEBPBSSDYVVLD-UHFFFAOYSA-N 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. Organic compounds Organoheterocyclic compounds Piperidines Benzylpiperidines N-benzylpiperidines Alkyl aryl ethers Anisoles Aralkylamines Aryl alkyl ketones Azacyclic compounds Benzylamines Hydrocarbon derivatives Indanones Organic oxides Organopnictogen compounds Phenylmethylamines Trialkylamines Alkyl aryl ether Amine Anisole Aralkylamine Aromatic heteropolycyclic compound Aryl alkyl ketone Aryl ketone Azacycle Benzenoid Benzylamine Ether Hydrocarbon derivative Indane Indanone Ketone Monocyclic benzene moiety N-benzylpiperidine Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenylmethylamine Tertiary aliphatic amine Tertiary amine Aromatic heteropolycyclic compounds cyclic ketone piperidines Solid logp 4.14 ALOGPS logs -4.93 ALOGPS logp 4.21 ChemAxon pka_strongest_acidic 17.02 ChemAxon pka_strongest_basic 8.62 ChemAxon iupac 2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-2,3-dihydro-1H-inden-1-one ChemAxon average_mass 379.492 ChemAxon mono_mass 379.214743799 ChemAxon smiles COC1=C(OC)C=C2C(=O)C(CC3CCN(CC4=CC=CC=C4)CC3)CC2=C1 ChemAxon 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 ChemAxon inchikey ADEBPBSSDYVVLD-UHFFFAOYSA-N ChemAxon polar_surface_area 38.77 ChemAxon refractivity 112.11 ChemAxon polarizability 44.34 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 4 ChemAxon donor_count 0 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon number_of_rings 4 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 21137 Specdb::CMs 117540 Specdb::CMs 164314 Specdb::MsMs 78189 Specdb::MsMs 78190 Specdb::MsMs 78191 Specdb::MsMs 138474 Specdb::MsMs 138475 Specdb::MsMs 138476 Specdb::MsMs 2255232 Specdb::MsMs 2255323 Specdb::MsMs 2297359 Specdb::MsMs 2297360 Specdb::MsMs 2297361 Specdb::MsMs 2637685 Specdb::MsMs 2637686 Specdb::MsMs 2637687 Brain Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 3040 53289 Donepezil Sugimoto, Hachiro; Tsuchiya, Yutaka; Higurashi, Kunizou; Karibe, Norio; Iimura, Yuoichi; Sasaki, Atsushi; Yamanashi, Yoshiharu; Ogura, Hiroo; Araki, Shin; et al. Preparation of 1-benzyl-4-(substituted alkyl)piperidines and analogs as acetylcholinesterase inhibitors. Eur. Pat. Appl. (1988), 103 pp. CODEN: EPXXDW EP 296560 A2 19881228 CAN 110:173102 AN 1989:173102