65607 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 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 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 9 9 9 10 10 11 11 12 12 13 13 14 14 15 15 16 16 17 17 18 18 19 19 20 20 21 22 12 45 3 7 9 4 5 23 6 24 25 10 11 26 8 27 28 8 29 30 31 32 12 33 34 13 15 14 16 35 36 17 37 18 38 19 39 20 40 21 41 22 42 21 43 22 44 46 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 2 1 2 1 1 1 1 1 1 1 2 1 2 1 2 1 2 1 1 1 1 1 1 1 3 2 4 5 23 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 7.1962 6.3301 5.4641 5.4641 4.5981 6.3301 7.1962 7.1962 6.3301 3.732 4.5981 7.1962 3.732 3.732 2.866 5.4641 2.866 3.732 2 5.4641 2 4.5981 5.4641 5.252 4.8535 4.5981 6.7287 5.9316 7.4082 7.8067 7.8067 7.4082 5.7196 6.1181 7.8067 7.4082 4.269 3.1951 2.866 6.001 2.866 3.1951 1.4631 6.001 7.7331 1.4631 4.5981 -2 0.5 1 2 0.5 2.5 1 2 -0.5 1 -0.5 -1 2 -1 0.5 -1 2.5 -2 1 -2 2 -2.5 0.38 2.5826 1.8923 1.12 2.975 2.975 0.4174 1.1077 1.8923 2.5826 -0.3923 -1.0826 -1.1077 -0.4174 2.31 -0.69 -0.12 -0.69 3.12 -2.31 0.69 -2.31 -2.31 2.31 -3.12 3 8 8 8 8 8 8 8 8 8 8 8 8 3 10 10 11 11 13 14 15 16 17 18 19 20 5 13 15 14 16 17 18 19 20 21 22 21 22 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 289 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 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 00000371E07A20000000000000000000000000000000000000003C6080000000000000014000001E00000800000D28E198063000830002008002204200000200002000000888000800880A30228091118420002080009888071080C00E80000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(2-benzhydryl-1-piperidyl)ethanol IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[2-(diphenylmethyl)-1-piperidinyl]ethanol IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(2-benzhydrylpiperidin-1-yl)ethanol IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(2-benzhydrylpiperidin-1-yl)ethanol IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[2-(diphenylmethyl)piperidin-1-yl]ethanol IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(2-benzhydrylpiperidino)ethanol InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C20H25NO/c22-16-15-21-14-8-7-13-19(21)20(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-6,9-12,19-20,22H,7-8,13-16H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 UHZJPVXMMCFPNR-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.9 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 295.193614421 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C20H25NO Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 295.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CCN(C(C1)C(C2=CC=CC=C2)C3=CC=CC=C3)CCO SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CCN(C(C1)C(C2=CC=CC=C2)C3=CC=CC=C3)CCO 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 2021.10.14 295.193614421 22 1 0 1 0 0 0 0 1 -1