60703 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 17 9 8 7 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 2 3 3 4 4 4 5 5 5 5 6 6 6 7 7 7 8 8 9 9 10 10 10 11 11 11 12 12 13 13 14 14 15 15 16 16 17 17 18 18 19 19 20 20 22 22 23 23 24 21 12 41 8 9 11 6 7 10 25 8 26 27 9 28 29 30 31 32 33 13 34 35 12 36 37 14 38 15 16 17 18 19 39 20 40 22 42 23 43 21 44 21 45 24 46 24 47 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 2 1 1 1 2 1 1 1 2 1 2 1 1 1 2 1 1 1 12 3 11 14 38 3 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 3.403 7.7331 2.5369 4.269 4.269 3.403 5.135 3.403 5.135 4.269 4.269 3.403 5.135 3.403 5.135 6.001 2.5369 4.269 6.001 6.8671 6.8671 2.5369 4.269 3.403 4.8059 3.1909 2.7924 5.7456 5.3471 2.7924 3.1909 5.3471 5.7456 4.0569 3.6584 4.481 4.8796 3.403 4.5981 6.001 2 2 4.8059 6.001 7.404 2 4.8059 -5.25 5.25 -0.75 0.25 2.25 1.75 1.75 0.75 0.75 3.25 -0.75 -1.25 3.75 -2.25 4.75 3.25 -2.75 -2.75 5.25 3.75 4.75 -3.75 -3.75 -4.25 2.56 2.3326 1.6423 1.6423 2.3326 0.8577 0.1674 0.1674 0.8577 3.8326 3.1423 -1.3326 -0.6423 -0.63 5.06 2.63 -1.06 -2.44 -2.44 5.87 3.44 -4.06 -4.06 3 8 8 8 8 8 8 8 8 8 8 8 8 12 13 13 14 14 15 16 17 18 19 20 22 23 3 15 16 17 18 19 20 22 23 21 21 24 24 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 359 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 1 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 00000371E07A21000400000000000000000000000000000000003C6080000000000000014000001F02000800000D16E1982E300083000200800220420000020000200500088800080A880A362281931184700024C00198980790C0E00E04000000000000000800000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]-1-piperidyl]ethanol IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]-1-piperidinyl]ethanol IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethanol IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethanol IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethanol IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(4-chlorophenyl)-2-[4-(4-fluorobenzyl)piperidino]ethanol InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C20H23ClFNO/c21-18-5-3-17(4-6-18)20(24)14-23-11-9-16(10-12-23)13-15-1-7-19(22)8-2-15/h1-8,16,20,24H,9-14H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 GGUSQTSTQSHJAH-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 4.5 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 347.1452202 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C20H23ClFNO Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 347.9 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CN(CCC1CC2=CC=C(C=C2)F)CC(C3=CC=C(C=C3)Cl)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CN(CCC1CC2=CC=C(C=C2)F)CC(C3=CC=C(C=C3)Cl)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 23.5 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 347.1452202 24 1 0 1 0 0 0 0 1 -1