2890 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 8 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 2 3 3 4 4 4 5 5 5 5 6 6 6 7 7 7 8 8 9 9 10 11 11 12 12 13 14 14 15 16 17 17 17 18 18 13 17 10 15 18 8 9 10 6 7 19 20 8 21 22 9 23 24 25 26 27 28 11 12 14 13 29 15 16 30 16 31 18 32 33 34 35 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 1 1 1 1 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 8.0901 4.5981 8.0901 3.732 2 2.866 2 3.732 2.866 4.5981 5.4641 6.3301 7.1962 5.4641 7.1962 6.3301 8.9962 8.9962 1.788 1.3894 3.2646 2.4675 1.3894 1.788 4.3426 3.9441 2.4675 3.2646 6.3301 4.9272 6.3301 9.2052 9.607 9.607 9.2052 -0.552 -1.5173 1.5173 -0.0173 0.9827 1.4827 -0.0173 0.9827 -0.5173 -0.5173 -0.0173 -0.5173 -0.0173 0.9827 0.9827 1.4827 -0.0381 1.0035 1.5653 0.875 1.9576 1.9576 0.0903 -0.5999 0.875 1.5653 -0.9923 -0.9923 -1.1373 1.2927 2.1027 -0.6218 0.0679 0.8974 1.5872 8 8 8 8 8 8 11 11 12 13 14 15 12 14 13 15 16 16 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 301 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.09.13 0 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371E07230000000000000000000000000000000000000003C4880000000000000910000001E00000000000C04E198063006830004008802215210008208002420000888010E8CC80D263284B51B86392AE4C6118AA987BADC12CE20000100000040004000020000008000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 2,3-dihydro-1,4-benzodioxin-6-yl(1-piperidyl)methanone IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 2,3-dihydro-1,4-benzodioxin-6-yl(1-piperidinyl)methanone IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 2,3-dihydro-1,4-benzodioxin-6-yl(piperidin-1-yl)methanone IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 2,3-dihydro-1,4-benzodioxin-6-yl(piperidin-1-yl)methanone IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 2,3-dihydro-1,4-benzodioxin-6-yl(piperidino)methanone InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C14H17NO3/c16-14(15-6-2-1-3-7-15)11-4-5-12-13(10-11)18-9-8-17-12/h4-5,10H,1-3,6-9H2 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 LJUNPHMOGNFFOS-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 1.1 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 247.120843 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C14H17NO3 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 247.28968 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C1CCN(CC1)C(=O)C2=CC3=C(C=C2)OCCO3 SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C1CCN(CC1)C(=O)C2=CC3=C(C=C2)OCCO3 Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 38.8 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 247.120843 18 0 0 0 0 0 0 0 1 1