10176454 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 7 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 1 2 2 3 3 3 3 4 4 4 5 5 6 6 6 7 7 7 8 8 9 9 10 10 11 11 12 13 13 14 4 8 9 12 14 5 6 7 15 5 10 16 17 18 8 19 20 9 21 22 23 24 25 26 11 12 13 27 28 14 29 30 1 1 1 1 2 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 1 4 1 5 10 16 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 5.8756 2.2588 6.1344 4.8978 5.7638 4.1608 7.5333 4.5029 7.2745 3.9318 3.673 3.2247 2.7071 2 6.1204 4.8168 6.3455 5.5006 3.9666 3.5751 8.1273 7.7283 3.9245 4.7373 7.0796 7.8685 4.1114 3.3852 2.5466 1.4011 -1.353 0.272 -0.3871 0.4615 0.9615 -1.0054 -0.8959 -1.9451 -1.8619 0.7203 1.6863 0.0132 1.9451 1.238 -1.007 1.0762 1.176 1.5229 -0.4166 -1.2086 -1.0737 -0.3074 -2.1684 -2.519 -2.4504 -2.0396 2.1247 -0.5857 2.544 1.3984 8 8 3 8 8 8 8 2 2 4 10 10 11 13 12 14 10 11 12 13 14 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 197 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 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 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07300000000000000000000000000000000000000002C58B1600000000000018000001C00000000000D28C11A043C8093081000A0023067440082802031022008D8203864980820E2C0D191842008608000C8C8071080C00E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(3-pyridyl)quinuclidine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(3-pyridinyl)-1-azabicyclo[2.2.2]octane IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-pyridin-3-yl-1-azabicyclo[2.2.2]octane IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-pyridin-3-yl-1-azabicyclo[2.2.2]octane IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-pyridin-3-yl-1-azabicyclo[2.2.2]octane IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(3-pyridyl)quinuclidine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C12H16N2/c1-2-11(9-13-5-1)12-8-10-3-6-14(12)7-4-10/h1-2,5,9-10,12H,3-4,6-8H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 YJYPZLAZNIGNRP-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 1.6 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 188.131348519 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C12H16N2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 188.27 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CN2CCC1CC2C3=CN=CC=C3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CN2CCC1CC2C3=CN=CC=C3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 16.1 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 188.131348519 14 1 0 1 0 0 0 0 1 1