6040 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 8 8 7 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 2 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 10 10 11 11 12 12 13 14 14 15 15 16 16 17 10 12 11 13 4 5 8 6 18 19 7 20 21 9 24 25 9 26 27 10 22 23 28 29 11 30 31 32 13 14 15 16 33 17 34 17 35 36 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 2 1 1 1 1 2 1 1 10 1 8 11 30 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 4.666 4.666 7.2641 8.1301 7.2641 8.9962 8.1301 6.3981 8.9962 5.5321 5.5321 3.8 3.8 2.9061 2.9061 2 2 7.7316 8.5287 7.0521 6.6535 5.9996 6.7966 9.2082 9.6067 8.5287 7.7316 9.6067 9.2082 5.5321 6.1426 5.7441 2.9132 2.9132 1.4643 1.4643 -1 1 -0.5 -1 0.5 -0.5 1 -1 0.5 -0.5 0.5 -0.5 0.5 -1.0347 1.0347 -0.5208 0.5208 -1.475 -1.475 1.0826 0.3923 -1.475 -1.475 -1.0826 -0.3923 1.475 1.475 0.3923 1.0826 -1.12 0.3923 1.0826 -1.6546 1.6546 -0.8329 0.8329 3 8 8 8 8 8 8 10 12 12 13 14 15 16 8 13 14 15 16 17 17 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 240 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 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07230000000000000000000000000000000000000003C4880000000000000910000001E00000000000814E190063006830004008000204200000208002020000888000E88880F262284B11A873822A6C0119AA8079040000000000000000040000000000000008000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C14H19NO2/c1-4-8-15(9-5-1)10-12-11-16-13-6-2-3-7-14(13)17-12/h2-3,6-7,12H,1,4-5,8-11H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 LYKMMUBOEFYJQG-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 2021.10.14 233.141578849 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C14H19NO2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 233.31 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CCN(CC1)CC2COC3=CC=CC=C3O2 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CCN(CC1)CC2COC3=CC=CC=C3O2 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 21.7 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 233.141578849 17 1 0 1 0 0 0 0 1 -1