91461 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 8 7 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 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 10 10 10 11 11 12 12 12 31 3 7 8 4 5 13 6 12 14 10 15 16 9 17 18 9 19 20 11 21 22 23 24 11 25 26 27 28 29 30 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 1 1 3 2 4 5 13 1 1 4 3 6 12 14 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 2 3.732 3.732 2.866 4.626 2 2.866 4.626 2 5.5321 5.5321 2.866 3.7255 2.3291 5.0196 4.2214 1.788 1.3894 2.4675 3.2646 4.2214 5.0196 1.3894 1.788 6.1429 5.7411 5.7411 6.1429 3.4766 3.0781 2 1.4573 -1.5427 -0.5427 -0.0427 -0.008 -0.5427 -2.0427 -2.0773 -1.5427 -0.5219 -1.5635 0.9573 0.3073 0.2673 0.471 0.4618 0.0399 -0.6503 -2.5176 -2.5176 -2.5471 -2.5564 -1.435 -2.1253 -0.6279 0.0618 -2.1472 -1.4574 0.8497 1.5399 2.0773 6 5 3 4 13 12 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 149 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 1 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 00000371E07220000000000000000000000000000000000000002C5800000000000000B00000001E00000800000D28E1800600000300020000000000000000000000000000000008000000100200800004400006000080000190D0E20E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methanol IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methanol IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [(1<I>R</I>,9<I>a</I><I>R</I>)-2,3,4,6,7,8,9,9<I>a</I>-octahydro-1<I>H</I>-quinolizin-1-yl]methanol IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methanol IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methanol IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [(1R,9aR)-quinolizidin-1-yl]methanol InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C10H19NO/c12-8-9-4-3-7-11-6-2-1-5-10(9)11/h9-10,12H,1-8H2/t9-,10+/m0/s1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 HDVAWXXJVMJBAR-VHSXEESVSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 1.2 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 169.146664230 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C10H19NO Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 169.26 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CCN2CCCC(C2C1)CO SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CCN2CCC[C@H]([C@H]2C1)CO Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 23.5 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 169.146664230 12 2 2 0 0 0 0 0 1 -1