1388 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 7 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 2 2 2 3 3 3 4 4 5 5 5 6 7 7 8 8 8 9 9 10 10 11 11 12 12 13 2 5 8 3 14 15 4 16 17 6 7 6 18 19 20 9 10 21 22 23 11 24 12 25 13 26 13 27 28 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 1 1 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 2.866 2 2 2.866 3.732 3.732 2.866 2.866 3.732 2 3.732 2 2.866 1.3894 1.788 1.788 1.3894 3.9441 4.3426 4.269 2.246 2.866 3.486 4.269 1.4631 4.269 1.4631 2.866 -2 -1.5 -0.5 0 -1.5 -0.5 1 -3 1.5 1.5 2.5 2.5 3 -1.3923 -2.0826 0.0826 -0.6077 -2.0826 -1.3923 -0.19 -3 -3.62 -3 1.19 1.19 2.81 2.81 3.62 8 8 8 8 8 8 7 7 9 10 11 12 9 10 11 12 13 13 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 189 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 1 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 00000371C0720000000000000000000000000000000000000000304000000000000000010000001C00000000000C00C118043200830000008002204200008200002000000888000800880820228091108420002080008888071080800E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 1-methyl-4-phenyl-3,6-dihydro-2H-pyridine IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 1-methyl-4-phenyl-3,6-dihydro-2H-pyridine IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 1-methyl-4-phenyl-3,6-dihydro-2H-pyridine IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 1-methyl-4-phenyl-3,6-dihydro-2H-pyridine IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 1-methyl-4-phenyl-3,6-dihydro-2H-pyridine InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C12H15N/c1-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-7H,8-10H2,1H3 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 PLRACCBDVIHHLZ-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 2.7 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 173.120449 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C12H15N Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 173.2542 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 CN1CCC(=CC1)C2=CC=CC=C2 SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 CN1CCC(=CC1)C2=CC=CC=C2 Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 3.2 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 173.120449 13 0 0 0 0 0 0 0 1 1