3034023 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 8 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 2 2 3 3 3 4 4 4 5 5 6 6 6 7 7 7 8 8 9 9 10 10 10 11 11 12 12 13 13 14 14 15 15 16 16 17 17 18 18 19 19 20 20 21 21 22 23 5 9 8 9 4 11 32 5 6 24 8 25 7 26 27 10 28 29 30 31 12 13 11 33 34 35 36 14 16 15 17 18 37 19 38 20 39 21 40 22 41 23 42 22 43 23 44 45 46 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 1 1 2 1 2 1 2 1 2 1 1 1 1 1 1 1 4 3 6 5 24 2 1 5 1 4 8 25 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 5.1065 4.9374 7.7521 6.886 6.02 6.886 7.7521 5.9155 4.4374 8.6181 8.6181 3.9373 3.6942 2.9373 2.7431 4.4374 3.9021 2.4373 2 3.9374 3.159 2.9373 2.2079 7.6222 5.9755 6.674 6.2755 8.1506 7.3535 5.9803 6.5355 7.7521 9.2287 8.8302 8.8302 9.2287 2.6273 2.6142 5.0574 4.4918 1.8173 1.4103 4.2473 3.2879 2.6273 1.7472 0.874 -0.7352 0.4672 0.9672 0.4672 1.9672 2.4672 -0.5273 0.1308 1.9672 0.9672 -0.7352 0.8 -0.7351 0.4909 -1.6012 1.7781 -1.6012 1.1601 -2.4672 2.4472 -2.4672 2.1382 1.3922 1.3161 2.5498 1.8596 2.9422 2.9422 -1.1439 -0.5273 -0.1528 1.8596 2.5498 0.3846 1.0749 -0.1982 -0.1155 -1.6012 1.9697 -1.6012 0.9685 -3.0042 3.0537 -3.0042 2.5531 5 6 8 8 8 8 8 8 8 8 8 8 8 8 4 5 12 12 13 13 14 15 16 17 18 19 20 21 24 25 14 16 15 17 18 19 20 21 22 23 22 23 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 356 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 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07A30000000000000000000000000000001200000003C6080000000000000014000001E00100000000C3CE19806300882C004008002204200000200002000000888800808881B262280B118A7300026D0019EA80790C0E00E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2S)-2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]piperidine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2S)-2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]piperidine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2<I>S</I>)-2-[(4<I>S</I>)-2,2-diphenyl-1,3-dioxolan-4-yl]piperidine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2S)-2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]piperidine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2S)-2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]piperidine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2S)-2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]piperidine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C20H23NO2/c1-3-9-16(10-4-1)20(17-11-5-2-6-12-17)22-15-19(23-20)18-13-7-8-14-21-18/h1-6,9-12,18-19,21H,7-8,13-15H2/t18-,19+/m0/s1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 HGKAMARNFGKMLC-RBUKOAKNSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.4 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 309.172878976 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C20H23NO2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 309.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CCNC(C1)C2COC(O2)(C3=CC=CC=C3)C4=CC=CC=C4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CCN[C@@H](C1)[C@H]2COC(O2)(C3=CC=CC=C3)C4=CC=CC=C4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 30.5 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 309.172878976 23 2 2 0 0 0 0 0 1 -1