About 1-[(2R,4aS,5R,10bS)-9-ethyl-5-(4-fluorophenyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]-N-methylmethanamine;(2R,4aS,5R,10bS)-5-phenyl-2-[(4-phenylpiperidin-1-yl)methyl]-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline;1-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-4-(4-chlorophenyl)piperidin-4-ol;1-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-4-thiophen-3-ylpiperidin-4-ol;methane
1-[(2R,4aS,5R,10bS)-9-ethyl-5-(4-fluorophenyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]-N-methylmethanamine;(2R,4aS,5R,10bS)-5-phenyl-2-[(4-phenylpiperidin-1-yl)methyl]-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline;1-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-4-(4-chlorophenyl)piperidin-4-ol;1-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-4-thiophen-3-ylpiperidin-4-ol;methane (PubChem CID 158966583) has the molecular formula C116H135ClF10N8O6S
and a molecular weight of 1994.91 g/mol. Its IUPAC name is 1-[(2R,4aS,5R,10bS)-9-ethyl-5-(4-fluorophenyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]-N-methylmethanamine;(2R,4aS,5R,10bS)-5-phenyl-2-[(4-phenylpiperidin-1-yl)methyl]-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline;1-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-4-(4-chlorophenyl)piperidin-4-ol;1-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-4-thiophen-3-ylpiperidin-4-ol;methane.
Frequently Asked Questions
What is the IUPAC name of 1-[(2R,4aS,5R,10bS)-9-ethyl-5-(4-fluorophenyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]-N-methylmethanamine;(2R,4aS,5R,10bS)-5-phenyl-2-[(4-phenylpiperidin-1-yl)methyl]-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline;1-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-4-(4-chlorophenyl)piperidin-4-ol;1-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-4-thiophen-3-ylpiperidin-4-ol;methane?
The IUPAC name of 1-[(2R,4aS,5R,10bS)-9-ethyl-5-(4-fluorophenyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]-N-methylmethanamine;(2R,4aS,5R,10bS)-5-phenyl-2-[(4-phenylpiperidin-1-yl)methyl]-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline;1-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-4-(4-chlorophenyl)piperidin-4-ol;1-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-4-thiophen-3-ylpiperidin-4-ol;methane (CID 158966583) is 1-[(2R,4aS,5R,10bS)-9-ethyl-5-(4-fluorophenyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]-N-methylmethanamine;(2R,4aS,5R,10bS)-5-phenyl-2-[(4-phenylpiperidin-1-yl)methyl]-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline;1-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-4-(4-chlorophenyl)piperidin-4-ol;1-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-4-thiophen-3-ylpiperidin-4-ol;methane.
What is the SMILES notation for 1-[(2R,4aS,5R,10bS)-9-ethyl-5-(4-fluorophenyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]-N-methylmethanamine;(2R,4aS,5R,10bS)-5-phenyl-2-[(4-phenylpiperidin-1-yl)methyl]-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline;1-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-4-(4-chlorophenyl)piperidin-4-ol;1-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-4-thiophen-3-ylpiperidin-4-ol;methane?
The canonical SMILES for 1-[(2R,4aS,5R,10bS)-9-ethyl-5-(4-fluorophenyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]-N-methylmethanamine;(2R,4aS,5R,10bS)-5-phenyl-2-[(4-phenylpiperidin-1-yl)methyl]-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline;1-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-4-(4-chlorophenyl)piperidin-4-ol;1-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-4-thiophen-3-ylpiperidin-4-ol;methane is C.C.C.CCc1ccc2c(c1)[C@H]1O[C@@H](CNC)CC[C@H]1[C@H](c1ccc(F)cc1)N2.FC(F)(F)c1ccc2c(c1)[C@H]1O[C@@H](CN3CCC(c4ccccc4)CC3)CC[C@H]1[C@H](c1ccccc1)N2.OC1(c2ccc(Cl)cc2)CCN(C[C@H]2CC[C@@H]3[C@H](O2)c2cc(C(F)(F)F)ccc2N[C@H]3c2ccccc2)CC1.OC1(c2ccsc2)CCN(C[C@H]2CC[C@@H]3[C@H](O2)c2cc(C(F)(F)F)ccc2N[C@H]3c2ccccc2)CC1.
What is the InChIKey of 1-[(2R,4aS,5R,10bS)-9-ethyl-5-(4-fluorophenyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]-N-methylmethanamine;(2R,4aS,5R,10bS)-5-phenyl-2-[(4-phenylpiperidin-1-yl)methyl]-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline;1-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-4-(4-chlorophenyl)piperidin-4-ol;1-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-4-thiophen-3-ylpiperidin-4-ol;methane?
The InChIKey is JNGYQWQCAYBWHQ-OYQAAMGVSA-N. The full InChI is InChI=1S/C31H32ClF3N2O2.C31H33F3N2O.C29H31F3N2O2S.C22H27FN2O.3CH4/c32-23-9-6-21(7-10-23)30(38)14-16-37(17-15-30)19-24-11-12-25-28(20-4-2-1-3-5-20)36-27-13-8-22(31(33,34)35)18-26(27)29(25)39-24;32-31(33,34)24-11-14-28-27(19-24)30-26(29(35-28)23-9-5-2-6-10-23)13-12-25(37-30)20-36-17-15-22(16-18-36)21-7-3-1-4-8-21;30-29(31,32)20-6-9-25-24(16-20)27-23(26(33-25)19-4-2-1-3-5-19)8-7-22(36-27)17-34-13-11-28(35,12-14-34)21-10-15-37-18-21;1-3-14-4-11-20-19(12-14)22-18(10-9-17(26-22)13-24-2)21(25-20)15-5-7-16(23)8-6-15;;;/h1-10,13,18,24-25,28-29,36,38H,11-12,14-17,19H2;1-11,14,19,22,25-26,29-30,35H,12-13,15-18,20H2;1-6,9-10,15-16,18,22-23,26-27,33,35H,7-8,11-14,17H2;4-8,11-12,17-18,21-22,24-25H,3,9-10,13H2,1-2H3;3*1H4/t24-,25+,28+,29+;25-,26+,29+,30+;22-,23+,26+,27+;17-,18+,21+,22+;;;/m1111.../s1.
What are the key properties of 1-[(2R,4aS,5R,10bS)-9-ethyl-5-(4-fluorophenyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]-N-methylmethanamine;(2R,4aS,5R,10bS)-5-phenyl-2-[(4-phenylpiperidin-1-yl)methyl]-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline;1-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-4-(4-chlorophenyl)piperidin-4-ol;1-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-4-thiophen-3-ylpiperidin-4-ol;methane?
1-[(2R,4aS,5R,10bS)-9-ethyl-5-(4-fluorophenyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]-N-methylmethanamine;(2R,4aS,5R,10bS)-5-phenyl-2-[(4-phenylpiperidin-1-yl)methyl]-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline;1-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-4-(4-chlorophenyl)piperidin-4-ol;1-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-4-thiophen-3-ylpiperidin-4-ol;methane has a molecular weight of 1994.91 g/mol, XLogP of 28.21, 16 rotatable bonds, 7 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4aS,5R,10bS)-9-ethyl-5-(4-fluorophenyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]-N-methylmethanamine;(2R,4aS,5R,10bS)-5-phenyl-2-[(4-phenylpiperidin-1-yl)methyl]-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline;1-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-4-(4-chlorophenyl)piperidin-4-ol;1-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-4-thiophen-3-ylpiperidin-4-ol;methane is sourced from PubChem (CID 158966583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).