19324 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 8 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 1 1 2 2 3 3 3 4 4 4 5 5 6 6 6 7 7 8 8 9 9 9 10 10 10 11 11 12 12 12 13 13 14 14 14 15 15 16 16 17 17 18 18 19 5 7 7 8 4 11 28 5 6 20 8 21 9 22 23 12 13 24 25 10 26 27 11 29 30 31 32 14 33 34 15 16 35 36 37 17 38 18 39 19 40 19 41 42 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 1 1 1 2 1 2 1 1 1 1 4 3 5 6 20 3 1 5 1 4 8 21 3 1 7 1 2 12 13 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 5.2672 5.0981 7.9128 7.0468 6.1808 7.0468 4.5981 6.0762 7.9128 8.7788 8.7788 3.8549 3.732 4.0628 3.732 2.866 2.866 2 2 7.0468 6.1483 6.8347 6.4362 6.141 6.6962 8.3113 7.5143 7.9128 9.3894 8.9909 8.9909 9.3894 3.2801 3.5264 4.6693 4.1918 3.4564 4.269 2.866 2.866 1.4631 1.4631 0.5749 -1.0342 0.1682 0.6682 0.1682 1.6682 -0.1682 -0.8263 2.1682 1.6682 0.6682 0.5009 -0.6682 1.4791 -1.6682 -0.1682 -2.1682 -0.6682 -1.6682 0.0482 0.7874 2.2508 1.5605 -1.4429 -0.8263 2.6432 2.6432 -0.4518 1.5605 2.2508 0.0856 0.7759 0.7332 -0.0249 1.3502 2.0855 1.608 -1.9782 0.4518 -2.7882 -0.3582 -1.9782 3 3 3 8 8 8 8 8 8 4 5 7 13 13 15 16 17 18 6 8 12 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 2021.10.14 291 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 00000371E07A30000000000000000000000000000001200000003C4000000000000000010000001E00100000000C3CE19806320882C004008002204200000200002000000888800808881B262280B118A7300026D0019EA80790C0A00E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(2-ethyl-2-phenyl-1,3-dioxolan-4-yl)piperidine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(2-ethyl-2-phenyl-1,3-dioxolan-4-yl)piperidine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(2-ethyl-2-phenyl-1,3-dioxolan-4-yl)piperidine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(2-ethyl-2-phenyl-1,3-dioxolan-4-yl)piperidine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(2-ethyl-2-phenyl-1,3-dioxolan-4-yl)piperidine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(2-ethyl-2-phenyl-1,3-dioxolan-4-yl)piperidine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C16H23NO2/c1-2-16(13-8-4-3-5-9-13)18-12-15(19-16)14-10-6-7-11-17-14/h3-5,8-9,14-15,17H,2,6-7,10-12H2,1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 INOYCBNLWYEPSB-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.6 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 261.172878976 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C16H23NO2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 261.36 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCC1(OCC(O1)C2CCCCN2)C3=CC=CC=C3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCC1(OCC(O1)C2CCCCN2)C3=CC=CC=C3 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 2021.10.14 261.172878976 19 3 0 3 0 0 0 0 1 -1