71471760 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 8 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 3 4 4 5 5 5 6 6 6 7 7 7 8 8 9 9 10 10 10 11 11 12 12 13 13 13 14 14 15 16 17 17 18 18 19 19 20 20 21 22 22 23 24 25 25 25 21 25 8 9 10 5 11 35 15 16 6 7 26 8 27 28 9 29 30 31 32 33 34 13 36 37 12 14 15 17 38 39 40 16 18 19 20 21 41 22 42 23 43 24 44 23 24 45 46 47 48 49 50 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 2 2 1 1 1 2 1 1 1 1 2 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 8.9942 2.866 5.4641 5.4641 4.5981 3.732 4.5981 2.866 3.732 2 5.4641 6.3301 2 4.5981 6.3301 4.5981 7.2241 3.7041 7.2241 3.7041 8.1301 2.7981 8.1301 2.7981 9.8622 4.5981 3.3335 4.1306 5.2087 4.8101 2.2554 2.654 4.1306 3.3335 6.001 1.3894 1.788 2.62 2 1.38 7.2169 3.7113 7.2169 3.7113 2.2623 8.6659 2.2623 9.5542 10.4003 10.1701 -0.9585 1.5173 0.0173 -2.9827 0.5173 0.0173 1.5173 0.5173 2.0173 2.0173 -0.9827 -1.4827 3.0173 -1.4827 -2.4827 -2.4827 -0.948 -0.948 -3.0173 -3.0173 -1.4619 -1.4619 -2.5035 -2.5035 -1.4552 -0.1027 -0.4576 -0.4576 1.4097 2.0999 0.625 -0.0653 2.4923 2.4923 0.3273 2.125 1.4347 3.0173 3.6373 3.0173 -0.328 -0.328 -3.6373 -3.6373 -1.1498 -2.8156 -2.8156 -1.9933 -1.7631 -0.9171 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 11 11 12 12 14 14 15 16 17 18 19 20 21 22 15 16 12 14 15 17 16 18 19 20 21 22 23 24 23 24 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 423 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B20000000000000000000000000000000000000003C7881000000000000B1FC00001E00100000000C2CC19E0632C6F3C81400A003246244008288202122200898A03E6C980C26E2C4F1DB84342864D011C8E807B0C0F00E00400100000200000080020000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(1-ethyl-4-piperidyl)-2-methoxy-acridin-9-amine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(1-ethyl-4-piperidinyl)-2-methoxy-9-acridinamine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-(1-ethylpiperidin-4-yl)-2-methoxyacridin-9-amine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(1-ethylpiperidin-4-yl)-2-methoxyacridin-9-amine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(1-ethylpiperidin-4-yl)-2-methoxy-acridin-9-amine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (1-ethyl-4-piperidyl)-(2-methoxyacridin-9-yl)amine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C21H25N3O/c1-3-24-12-10-15(11-13-24)22-21-17-6-4-5-7-19(17)23-20-9-8-16(25-2)14-18(20)21/h4-9,14-15H,3,10-13H2,1-2H3,(H,22,23) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 OKXOENHAEFFQDT-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 4.4 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 335.199762429 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C21H25N3O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 335.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCN1CCC(CC1)NC2=C3C=C(C=CC3=NC4=CC=CC=C42)OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCN1CCC(CC1)NC2=C3C=C(C=CC3=NC4=CC=CC=C42)OC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 37.4 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 335.199762429 25 0 0 0 0 0 0 0 1 -1