15387 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 9 8 7 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 2 3 3 3 4 4 4 4 5 5 5 6 6 6 7 7 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 14 14 15 15 16 16 17 17 18 18 19 13 7 8 9 5 6 10 20 7 21 22 8 23 24 25 26 27 28 11 29 30 31 32 33 12 34 35 13 36 37 14 15 16 17 38 18 39 19 40 19 41 1 2 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 1 1 1 2 1 1 1 2 1 2 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 2.866 2 4.5981 4.5981 5.4641 3.732 5.4641 3.732 4.5981 4.5981 3.732 3.732 2.866 2.866 2 3.732 2 3.732 2.866 5.135 6.0747 5.6762 3.52 3.1215 5.6762 6.0747 3.1215 3.52 4.8101 5.2087 5.2181 4.5981 3.9781 3.52 3.1215 3.9441 4.3426 1.4631 4.269 1.4631 4.269 -5 -0.5 2 4 3.5 3.5 2.5 2.5 1 5 0.5 -0.5 -1 -2 -2.5 -2.5 -3.5 -3.5 -4 4.31 3.3923 4.0826 4.0826 3.3923 1.9174 2.6077 2.6077 1.9174 0.4174 1.1077 5 5.62 5 1.0826 0.3923 -1.0826 -0.3923 -2.19 -2.19 -3.81 -3.81 8 8 8 8 8 8 14 14 15 16 17 18 15 16 17 18 19 19 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 279 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07A21000000000000000000000000000000000000003C4000000000000000010000001F00000000000D04C1980C3200830000008802A05200000200002400000888010800C80820328095108421002080008889871C88808E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(4-fluorophenyl)-4-(4-methyl-1-piperidyl)butan-1-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(4-fluorophenyl)-4-(4-methyl-1-piperidinyl)-1-butanone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(4-fluorophenyl)-4-(4-methylpiperidin-1-yl)butan-1-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(4-fluorophenyl)-4-(4-methylpiperidin-1-yl)butan-1-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(4-fluorophenyl)-4-(4-methylpiperidin-1-yl)butan-1-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(4-fluorophenyl)-4-(4-methylpiperidino)butan-1-one InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C16H22FNO/c1-13-8-11-18(12-9-13)10-2-3-16(19)14-4-6-15(17)7-5-14/h4-7,13H,2-3,8-12H2,1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 DKMFBWQBDIGMHM-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.3 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 263.16854249 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C16H22FNO Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 263.35 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1CCN(CC1)CCCC(=O)C2=CC=C(C=C2)F SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1CCN(CC1)CCCC(=O)C2=CC=C(C=C2)F Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 20.3 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 263.16854249 19 0 0 0 0 0 0 0 1 -1