About lithium;alumane;ethyl 4-fluoro-1-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidine-4-carboxylate;ethyl 4-fluoropiperidine-4-carboxylate;[4-fluoro-1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl 4-methylbenzenesulfonate;[4-fluoro-1-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methanol;[4-fluoro-1-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl 4-methylbenzenesulfonate;hydride;4-methylbenzenesulfonyl chloride;[4-[(1R,2S)-6-methyl-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;tribromoborane;hydrochloride
lithium;alumane;ethyl 4-fluoro-1-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidine-4-carboxylate;ethyl 4-fluoropiperidine-4-carboxylate;[4-fluoro-1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl 4-methylbenzenesulfonate;[4-fluoro-1-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methanol;[4-fluoro-1-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl 4-methylbenzenesulfonate;hydride;4-methylbenzenesulfonyl chloride;[4-[(1R,2S)-6-methyl-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;tribromoborane;hydrochloride (PubChem CID 158956574) has the molecular formula C208H219AlBBr3Cl2F14LiN9O23S4
and a molecular weight of 3962.67 g/mol. Its IUPAC name is lithium;alumane;ethyl 4-fluoro-1-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidine-4-carboxylate;ethyl 4-fluoropiperidine-4-carboxylate;[4-fluoro-1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl 4-methylbenzenesulfonate;[4-fluoro-1-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methanol;[4-fluoro-1-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl 4-methylbenzenesulfonate;hydride;4-methylbenzenesulfonyl chloride;[4-[(1R,2S)-6-methyl-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;tribromoborane;hydrochloride.
Frequently Asked Questions
What is the IUPAC name of lithium;alumane;ethyl 4-fluoro-1-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidine-4-carboxylate;ethyl 4-fluoropiperidine-4-carboxylate;[4-fluoro-1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl 4-methylbenzenesulfonate;[4-fluoro-1-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methanol;[4-fluoro-1-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl 4-methylbenzenesulfonate;hydride;4-methylbenzenesulfonyl chloride;[4-[(1R,2S)-6-methyl-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;tribromoborane;hydrochloride?
The IUPAC name of lithium;alumane;ethyl 4-fluoro-1-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidine-4-carboxylate;ethyl 4-fluoropiperidine-4-carboxylate;[4-fluoro-1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl 4-methylbenzenesulfonate;[4-fluoro-1-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methanol;[4-fluoro-1-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl 4-methylbenzenesulfonate;hydride;4-methylbenzenesulfonyl chloride;[4-[(1R,2S)-6-methyl-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;tribromoborane;hydrochloride (CID 158956574) is lithium;alumane;ethyl 4-fluoro-1-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidine-4-carboxylate;ethyl 4-fluoropiperidine-4-carboxylate;[4-fluoro-1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl 4-methylbenzenesulfonate;[4-fluoro-1-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methanol;[4-fluoro-1-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl 4-methylbenzenesulfonate;hydride;4-methylbenzenesulfonyl chloride;[4-[(1R,2S)-6-methyl-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;tribromoborane;hydrochloride.
What is the SMILES notation for lithium;alumane;ethyl 4-fluoro-1-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidine-4-carboxylate;ethyl 4-fluoropiperidine-4-carboxylate;[4-fluoro-1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl 4-methylbenzenesulfonate;[4-fluoro-1-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methanol;[4-fluoro-1-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl 4-methylbenzenesulfonate;hydride;4-methylbenzenesulfonyl chloride;[4-[(1R,2S)-6-methyl-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;tribromoborane;hydrochloride?
The canonical SMILES for lithium;alumane;ethyl 4-fluoro-1-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidine-4-carboxylate;ethyl 4-fluoropiperidine-4-carboxylate;[4-fluoro-1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl 4-methylbenzenesulfonate;[4-fluoro-1-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methanol;[4-fluoro-1-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl 4-methylbenzenesulfonate;hydride;4-methylbenzenesulfonyl chloride;[4-[(1R,2S)-6-methyl-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;tribromoborane;hydrochloride is BrB(Br)Br.CCOC(=O)C1(F)CCN(c2ccc([C@@H]3c4ccc(OCc5ccccc5)cc4CC[C@@H]3c3ccccc3)cc2)CC1.CCOC(=O)C1(F)CCNCC1.Cc1ccc(S(=O)(=O)Cl)cc1.Cc1ccc(S(=O)(=O)OCC2(F)CCN(c3ccc([C@@H]4c5ccc(O)cc5CC[C@@H]4c4ccccc4)cc3)CC2)cc1.Cc1ccc(S(=O)(=O)OCC2(F)CCN(c3ccc([C@@H]4c5ccc(OCc6ccccc6)cc5CC[C@@H]4c4ccccc4)cc3)CC2)cc1.Cc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1.Cl.O=C1CCC(N2Cc3cc(N4CCNCC4)ccc3C2=O)C(=O)N1.OCC1(F)CCN(c2ccc([C@@H]3c4ccc(OCc5ccccc5)cc4CC[C@@H]3c3ccccc3)cc2)CC1.[AlH3].[H-].[Li+].
What is the InChIKey of lithium;alumane;ethyl 4-fluoro-1-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidine-4-carboxylate;ethyl 4-fluoropiperidine-4-carboxylate;[4-fluoro-1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl 4-methylbenzenesulfonate;[4-fluoro-1-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methanol;[4-fluoro-1-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl 4-methylbenzenesulfonate;hydride;4-methylbenzenesulfonyl chloride;[4-[(1R,2S)-6-methyl-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;tribromoborane;hydrochloride?
The InChIKey is PQTFKIPLWBJHMN-IHPVRNIUSA-N. The full InChI is InChI=1S/C42H42FNO4S.C37H38FNO3.C35H36FNO4S.C35H36FNO2.C27H21F9O3S.C17H20N4O3.C8H14FNO2.C7H7ClO2S.Al.BBr3.ClH.Li.4H/c1-31-12-20-38(21-13-31)49(45,46)48-30-42(43)24-26-44(27-25-42)36-17-14-34(15-18-36)41-39(33-10-6-3-7-11-33)22-16-35-28-37(19-23-40(35)41)47-29-32-8-4-2-5-9-32;1-2-41-36(40)37(38)21-23-39(24-22-37)31-16-13-29(14-17-31)35-33(28-11-7-4-8-12-28)19-15-30-25-32(18-20-34(30)35)42-26-27-9-5-3-6-10-27;1-25-7-15-31(16-8-25)42(39,40)41-24-35(36)19-21-37(22-20-35)29-12-9-27(10-13-29)34-32(26-5-3-2-4-6-26)17-11-28-23-30(38)14-18-33(28)34;36-35(25-38)19-21-37(22-20-35)30-14-11-28(12-15-30)34-32(27-9-5-2-6-10-27)17-13-29-23-31(16-18-33(29)34)39-24-26-7-3-1-4-8-26;1-16-7-13-22-19(15-16)10-14-21(17-5-3-2-4-6-17)23(22)18-8-11-20(12-9-18)39-40(37,38)27(35,36)25(30,31)24(28,29)26(32,33)34;22-15-4-3-14(16(23)19-15)21-10-11-9-12(1-2-13(11)17(21)24)20-7-5-18-6-8-20;1-2-12-7(11)8(9)3-5-10-6-4-8;1-6-2-4-7(5-3-6)11(8,9)10;;2-1(3)4;;;;;;/h2-15,17-21,23,28,39,41H,16,22,24-27,29-30H2,1H3;3-14,16-18,20,25,33,35H,2,15,19,21-24,26H2,1H3;2-10,12-16,18,23,32,34,38H,11,17,19-22,24H2,1H3;1-12,14-16,18,23,32,34,38H,13,17,19-22,24-25H2;2-9,11-13,15,21,23H,10,14H2,1H3;1-2,9,14,18H,3-8,10H2,(H,19,22,23);10H,2-6H2,1H3;2-5H,1H3;;;1H;;;;;/q;;;;;;;;;;;+1;;;;-1/t39-,41+;33-,35+;2*32-,34+;21-,23+;;;;;;;;;;;/m11111.........../s1.
What are the key properties of lithium;alumane;ethyl 4-fluoro-1-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidine-4-carboxylate;ethyl 4-fluoropiperidine-4-carboxylate;[4-fluoro-1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl 4-methylbenzenesulfonate;[4-fluoro-1-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methanol;[4-fluoro-1-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl 4-methylbenzenesulfonate;hydride;4-methylbenzenesulfonyl chloride;[4-[(1R,2S)-6-methyl-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;tribromoborane;hydrochloride?
lithium;alumane;ethyl 4-fluoro-1-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidine-4-carboxylate;ethyl 4-fluoropiperidine-4-carboxylate;[4-fluoro-1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl 4-methylbenzenesulfonate;[4-fluoro-1-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methanol;[4-fluoro-1-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl 4-methylbenzenesulfonate;hydride;4-methylbenzenesulfonyl chloride;[4-[(1R,2S)-6-methyl-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;tribromoborane;hydrochloride has a molecular weight of 3962.67 g/mol, XLogP of 40.78, 44 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;alumane;ethyl 4-fluoro-1-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidine-4-carboxylate;ethyl 4-fluoropiperidine-4-carboxylate;[4-fluoro-1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl 4-methylbenzenesulfonate;[4-fluoro-1-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methanol;[4-fluoro-1-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl 4-methylbenzenesulfonate;hydride;4-methylbenzenesulfonyl chloride;[4-[(1R,2S)-6-methyl-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;tribromoborane;hydrochloride is sourced from PubChem (CID 158956574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).