71219 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 7 7 6 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 3 3 3 3 4 4 4 5 5 5 6 6 6 7 7 8 8 9 9 9 10 10 11 11 12 12 13 14 15 15 16 16 17 17 18 18 19 20 20 21 21 22 22 23 23 24 7 8 38 13 14 4 5 6 25 7 26 27 8 28 29 9 30 31 32 33 34 35 10 36 37 11 12 13 15 14 39 16 17 18 40 19 41 20 21 19 42 43 22 44 23 45 24 46 24 47 48 1 1 1 1 2 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 2 1 1 1 1 1 2 1 2 1 1 1 1 2 1 2 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 5.5321 4.666 5.5321 6.3981 4.666 5.5321 6.3981 4.666 4.666 4.666 3.8 5.5321 3.8 5.5321 2.9061 2.9061 6.3981 2 2 6.3981 7.2641 7.2641 8.1301 8.1301 6.069 6.6101 7.0087 4.0555 4.454 5.7441 6.1426 7.0087 6.6101 4.454 4.0555 4.454 4.0555 5.5321 6.069 2.9132 2.9132 1.4643 1.4643 5.8612 7.2641 7.2641 8.6671 8.6671 3.69 -2.81 1.69 2.19 2.19 0.69 3.19 3.19 0.19 -0.81 -1.31 -1.31 -2.31 -2.31 -0.7753 -2.8447 -2.81 -1.2892 -2.3308 -3.81 -2.31 -4.31 -2.81 -3.81 1.38 1.6074 2.2977 2.2977 1.6074 0.1074 0.7977 3.0823 3.7726 3.7726 3.0823 0.7726 0.0823 4.31 -1 -0.1554 -3.4646 -0.9771 -2.6429 -4.12 -1.69 -4.93 -2.5 -4.12 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 2 2 10 10 11 11 12 13 15 16 17 17 18 20 21 22 23 13 14 11 12 13 15 14 16 18 19 20 21 19 22 23 24 24 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 370 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 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B00000000000000000000000000000000000000003C7881000000000000B1F400001C00100000000D08C11E0430C0F2C81000A003246244008280202102200898A03864980820E2C09191842008609000C8C8071080C00E80000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-phenyl-4-[2-(4-piperidyl)ethyl]quinoline IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-phenyl-4-[2-(4-piperidinyl)ethyl]quinoline IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-phenyl-4-(2-piperidin-4-ylethyl)quinoline IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-phenyl-4-(2-piperidin-4-ylethyl)quinoline IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-phenyl-4-(2-piperidin-4-ylethyl)quinoline IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-phenyl-4-[2-(4-piperidyl)ethyl]quinoline InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C22H24N2/c1-2-6-18(7-3-1)22-16-19(11-10-17-12-14-23-15-13-17)20-8-4-5-9-21(20)24-22/h1-9,16-17,23H,10-15H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 AMEWZCMTSIONOX-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 5 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 316.193948774 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C22H24N2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 316.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CNCCC1CCC2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CNCCC1CCC2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 24.9 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 316.193948774 24 0 0 0 0 0 0 0 1 -1