lithium;4-(bromomethyl)-1-[4-[(1R,2S)-2-(4-fluorophenyl)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-ol;tert-butyl 4-methylidenepiperidine-1-carboxylate;1-[4-[(1R,2S)-2-(4-fluorophenyl)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-4-(hydroxymethyl)piperidin-4-ol;1-[4-[(1R,2S)-2-(4-fluorophenyl)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-4-methylidenepiperidine;[4-[(1R,2S)-2-(4-fluorophenyl)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;6-[4-[(1R,2S)-2-(4-fluorophenyl)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-1-oxa-6-azaspiro[2.5]octane;4-methylbenzenesulfonyl chloride;methylidenecyclohexane;3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;bromide;dihydrochloride

C185H203Br2Cl3F14LiN9O14S2 — CID 159320236

IUPAClithium;4-(bromomethyl)-1-[4-[(1R,2S)-2-(4-fluorophenyl)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-ol;tert-butyl 4-methylidenepiperidine-1-carboxylate;1-[4-[(1R,2S)-2-(4-fluorophenyl)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-4-(hydroxymethyl)piperidin-4-ol;1-[4-[(1R,2S)-2-(4-fluorophenyl)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-4-methylidenepiperidine;[4-[(1R,2S)-2-(4-fluorophenyl)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;6-[4-[(1R,2S)-2-(4-fluorophenyl)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-1-oxa-6-azaspiro[2.5]octane;4-methylbenzenesulfonyl chloride;methylidenecyclohexane;3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;bromide;dihydrochloride
SMILESC=C1CCCCC1.C=C1CCN(C(=O)OC(C)(C)C)CC1.C=C1CCN(c2ccc([C@@H]3c4ccc(C)cc4CC[C@@H]3c3ccc(F)cc3)cc2)CC1.Cc1ccc(S(=O)(=O)Cl)cc1.Cc1ccc2c(c1)CC[C@H](c1ccc(F)cc1)[C@@H]2c1ccc(N2CCC(O)(CBr)CC2)cc1.Cc1ccc2c(c1)CC[C@H](c1ccc(F)cc1)[C@@H]2c1ccc(N2CCC(O)(CO)CC2)cc1.Cc1ccc2c(c1)CC[C@H](c1ccc(F)cc1)[C@@H]2c1ccc(N2CCC3(CC2)CO3)cc1.Cc1ccc2c(c1)CC[C@H](c1ccc(F)cc1)[C@@H]2c1ccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1.Cl.Cl.O=C1CCC(N2Cc3cc(N4CCNCC4)ccc3C2=O)C(=O)N1.[Br-].[Li+]
InChIInChI=1S/C29H31BrFNO.C29H32FNO2.C29H30FNO.C29H30FN.C27H20F10O3S.C17H20N4O3.C11H19NO2.C7H7ClO2S.C7H12.BrH.2ClH.Li/c1-20-2-12-27-23(18-20)7-13-26(21-3-8-24(31)9-4-21)28(27)22-5-10-25(11-6-22)32-16-14-29(33,19-30)15-17-32;1-20-2-12-27-23(18-20)7-13-26(21-3-8-24(30)9-4-21)28(27)22-5-10-25(11-6-22)31-16-14-29(33,19-32)15-17-31;1-20-2-12-27-23(18-20)7-13-26(21-3-8-24(30)9-4-21)28(27)22-5-10-25(11-6-22)31-16-14-29(15-17-31)19-32-29;1-20-15-17-31(18-16-20)26-11-6-23(7-12-26)29-27(22-4-9-25(30)10-5-22)14-8-24-19-21(2)3-13-28(24)29;1-15-2-12-22-18(14-15)7-13-21(16-3-8-19(28)9-4-16)23(22)17-5-10-20(11-6-17)40-41(38,39)27(36,37)25(31,32)24(29,30)26(33,34)35;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;1-9-5-7-12(8-6-9)10(13)14-11(2,3)4;1-6-2-4-7(5-3-6)11(8,9)10;1-7-5-3-2-4-6-7;;;;/h2-6,8-12,18,26,28,33H,7,13-17,19H2,1H3;2-6,8-12,18,26,28,32-33H,7,13-17,19H2,1H3;2-6,8-12,18,26,28H,7,13-17,19H2,1H3;3-7,9-13,19,27,29H,1,8,14-18H2,2H3;2-6,8-12,14,21,23H,7,13H2,1H3;1-2,9,14,18H,3-8,10H2,(H,19,22,23);1,5-8H2,2-4H3;2-5H,1H3;1-6H2;3*1H;/q;;;;;;;;;;;;+1/p-1/t3*26-,28+;27-,29+;21-,23+;;;;;;;;/m11111......../s1
InChIKeyBSBPCGIUKWWNOV-WYDXFTIRSA-M
MW3379.92 g/mol
LogP35.40
Rot. Bonds24

About lithium;4-(bromomethyl)-1-[4-[(1R,2S)-2-(4-fluorophenyl)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-ol;tert-butyl 4-methylidenepiperidine-1-carboxylate;1-[4-[(1R,2S)-2-(4-fluorophenyl)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-4-(hydroxymethyl)piperidin-4-ol;1-[4-[(1R,2S)-2-(4-fluorophenyl)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-4-methylidenepiperidine;[4-[(1R,2S)-2-(4-fluorophenyl)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;6-[4-[(1R,2S)-2-(4-fluorophenyl)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-1-oxa-6-azaspiro[2.5]octane;4-methylbenzenesulfonyl chloride;methylidenecyclohexane;3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;bromide;dihydrochloride

lithium;4-(bromomethyl)-1-[4-[(1R,2S)-2-(4-fluorophenyl)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-ol;tert-butyl 4-methylidenepiperidine-1-carboxylate;1-[4-[(1R,2S)-2-(4-fluorophenyl)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-4-(hydroxymethyl)piperidin-4-ol;1-[4-[(1R,2S)-2-(4-fluorophenyl)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-4-methylidenepiperidine;[4-[(1R,2S)-2-(4-fluorophenyl)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;6-[4-[(1R,2S)-2-(4-fluorophenyl)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-1-oxa-6-azaspiro[2.5]octane;4-methylbenzenesulfonyl chloride;methylidenecyclohexane;3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;bromide;dihydrochloride (PubChem CID 159320236) has the molecular formula C185H203Br2Cl3F14LiN9O14S2 and a molecular weight of 3379.92 g/mol. Its IUPAC name is lithium;4-(bromomethyl)-1-[4-[(1R,2S)-2-(4-fluorophenyl)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-ol;tert-butyl 4-methylidenepiperidine-1-carboxylate;1-[4-[(1R,2S)-2-(4-fluorophenyl)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-4-(hydroxymethyl)piperidin-4-ol;1-[4-[(1R,2S)-2-(4-fluorophenyl)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-4-methylidenepiperidine;[4-[(1R,2S)-2-(4-fluorophenyl)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;6-[4-[(1R,2S)-2-(4-fluorophenyl)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-1-oxa-6-azaspiro[2.5]octane;4-methylbenzenesulfonyl chloride;methylidenecyclohexane;3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;bromide;dihydrochloride.

Molecular Properties

Compound Namelithium;4-(bromomethyl)-1-[4-[(1R,2S)-2-(4-fluorophenyl)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-ol;tert-butyl 4-methylidenepiperidine-1-carboxylate;1-[4-[(1R,2S)-2-(4-fluorophenyl)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-4-(hydroxymethyl)piperidin-4-ol;1-[4-[(1R,2S)-2-(4-fluorophenyl)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-4-methylidenepiperidine;[4-[(1R,2S)-2-(4-fluorophenyl)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;6-[4-[(1R,2S)-2-(4-fluorophenyl)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-1-oxa-6-azaspiro[2.5]octane;4-methylbenzenesulfonyl chloride;methylidenecyclohexane;3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;bromide;dihydrochloride
PubChem CID159320236
Molecular FormulaC185H203Br2Cl3F14LiN9O14S2
Molecular Weight3379.92 g/mol
Exact Mass3374.23
IUPAC Namelithium;4-(bromomethyl)-1-[4-[(1R,2S)-2-(4-fluorophenyl)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-ol;tert-butyl 4-methylidenepiperidine-1-carboxylate;1-[4-[(1R,2S)-2-(4-fluorophenyl)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-4-(hydroxymethyl)piperidin-4-ol;1-[4-[(1R,2S)-2-(4-fluorophenyl)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-4-methylidenepiperidine;[4-[(1R,2S)-2-(4-fluorophenyl)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;6-[4-[(1R,2S)-2-(4-fluorophenyl)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-1-oxa-6-azaspiro[2.5]octane;4-methylbenzenesulfonyl chloride;methylidenecyclohexane;3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;bromide;dihydrochloride
SMILESC=C1CCCCC1.C=C1CCN(C(=O)OC(C)(C)C)CC1.C=C1CCN(c2ccc([C@@H]3c4ccc(C)cc4CC[C@@H]3c3ccc(F)cc3)cc2)CC1.Cc1ccc(S(=O)(=O)Cl)cc1.Cc1ccc2c(c1)CC[C@H](c1ccc(F)cc1)[C@@H]2c1ccc(N2CCC(O)(CBr)CC2)cc1.Cc1ccc2c(c1)CC[C@H](c1ccc(F)cc1)[C@@H]2c1ccc(N2CCC(O)(CO)CC2)cc1.Cc1ccc2c(c1)CC[C@H](c1ccc(F)cc1)[C@@H]2c1ccc(N2CCC3(CC2)CO3)cc1.Cc1ccc2c(c1)CC[C@H](c1ccc(F)cc1)[C@@H]2c1ccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1.Cl.Cl.O=C1CCC(N2Cc3cc(N4CCNCC4)ccc3C2=O)C(=O)N1.[Br-].[Li+]
InChIInChI=1S/C29H31BrFNO.C29H32FNO2.C29H30FNO.C29H30FN.C27H20F10O3S.C17H20N4O3.C11H19NO2.C7H7ClO2S.C7H12.BrH.2ClH.Li/c1-20-2-12-27-23(18-20)7-13-26(21-3-8-24(31)9-4-21)28(27)22-5-10-25(11-6-22)32-16-14-29(33,19-30)15-17-32;1-20-2-12-27-23(18-20)7-13-26(21-3-8-24(30)9-4-21)28(27)22-5-10-25(11-6-22)31-16-14-29(33,19-32)15-17-31;1-20-2-12-27-23(18-20)7-13-26(21-3-8-24(30)9-4-21)28(27)22-5-10-25(11-6-22)31-16-14-29(15-17-31)19-32-29;1-20-15-17-31(18-16-20)26-11-6-23(7-12-26)29-27(22-4-9-25(30)10-5-22)14-8-24-19-21(2)3-13-28(24)29;1-15-2-12-22-18(14-15)7-13-21(16-3-8-19(28)9-4-16)23(22)17-5-10-20(11-6-17)40-41(38,39)27(36,37)25(31,32)24(29,30)26(33,34)35;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;1-9-5-7-12(8-6-9)10(13)14-11(2,3)4;1-6-2-4-7(5-3-6)11(8,9)10;1-7-5-3-2-4-6-7;;;;/h2-6,8-12,18,26,28,33H,7,13-17,19H2,1H3;2-6,8-12,18,26,28,32-33H,7,13-17,19H2,1H3;2-6,8-12,18,26,28H,7,13-17,19H2,1H3;3-7,9-13,19,27,29H,1,8,14-18H2,2H3;2-6,8-12,14,21,23H,7,13H2,1H3;1-2,9,14,18H,3-8,10H2,(H,19,22,23);1,5-8H2,2-4H3;2-5H,1H3;1-6H2;3*1H;/q;;;;;;;;;;;;+1/p-1/t3*26-,28+;27-,29+;21-,23+;;;;;;;;/m11111......../s1
InChIKeyBSBPCGIUKWWNOV-WYDXFTIRSA-M
XLogP35.40
TPSA274.98 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds24
Heavy Atoms230
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003379.92
LogP ≤ 535.40
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze lithium;4-(bromomethyl)-1-[4-[(1R,2S)-2-(4-fluorophenyl)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-ol;tert-butyl 4-methylidenepiperidine-1-carboxylate;1-[4-[(1R,2S)-2-(4-fluorophenyl)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-4-(hydroxymethyl)piperidin-4-ol;1-[4-[(1R,2S)-2-(4-fluorophenyl)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-4-methylidenepiperidine;[4-[(1R,2S)-2-(4-fluorophenyl)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;6-[4-[(1R,2S)-2-(4-fluorophenyl)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-1-oxa-6-azaspiro[2.5]octane;4-methylbenzenesulfonyl chloride;methylidenecyclohexane;3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;bromide;dihydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of lithium;4-(bromomethyl)-1-[4-[(1R,2S)-2-(4-fluorophenyl)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-ol;tert-butyl 4-methylidenepiperidine-1-carboxylate;1-[4-[(1R,2S)-2-(4-fluorophenyl)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-4-(hydroxymethyl)piperidin-4-ol;1-[4-[(1R,2S)-2-(4-fluorophenyl)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-4-methylidenepiperidine;[4-[(1R,2S)-2-(4-fluorophenyl)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;6-[4-[(1R,2S)-2-(4-fluorophenyl)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-1-oxa-6-azaspiro[2.5]octane;4-methylbenzenesulfonyl chloride;methylidenecyclohexane;3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;bromide;dihydrochloride?
The IUPAC name of lithium;4-(bromomethyl)-1-[4-[(1R,2S)-2-(4-fluorophenyl)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-ol;tert-butyl 4-methylidenepiperidine-1-carboxylate;1-[4-[(1R,2S)-2-(4-fluorophenyl)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-4-(hydroxymethyl)piperidin-4-ol;1-[4-[(1R,2S)-2-(4-fluorophenyl)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-4-methylidenepiperidine;[4-[(1R,2S)-2-(4-fluorophenyl)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;6-[4-[(1R,2S)-2-(4-fluorophenyl)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-1-oxa-6-azaspiro[2.5]octane;4-methylbenzenesulfonyl chloride;methylidenecyclohexane;3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;bromide;dihydrochloride (CID 159320236) is lithium;4-(bromomethyl)-1-[4-[(1R,2S)-2-(4-fluorophenyl)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-ol;tert-butyl 4-methylidenepiperidine-1-carboxylate;1-[4-[(1R,2S)-2-(4-fluorophenyl)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-4-(hydroxymethyl)piperidin-4-ol;1-[4-[(1R,2S)-2-(4-fluorophenyl)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-4-methylidenepiperidine;[4-[(1R,2S)-2-(4-fluorophenyl)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;6-[4-[(1R,2S)-2-(4-fluorophenyl)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-1-oxa-6-azaspiro[2.5]octane;4-methylbenzenesulfonyl chloride;methylidenecyclohexane;3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;bromide;dihydrochloride.
What is the SMILES notation for lithium;4-(bromomethyl)-1-[4-[(1R,2S)-2-(4-fluorophenyl)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-ol;tert-butyl 4-methylidenepiperidine-1-carboxylate;1-[4-[(1R,2S)-2-(4-fluorophenyl)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-4-(hydroxymethyl)piperidin-4-ol;1-[4-[(1R,2S)-2-(4-fluorophenyl)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-4-methylidenepiperidine;[4-[(1R,2S)-2-(4-fluorophenyl)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;6-[4-[(1R,2S)-2-(4-fluorophenyl)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-1-oxa-6-azaspiro[2.5]octane;4-methylbenzenesulfonyl chloride;methylidenecyclohexane;3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;bromide;dihydrochloride?
The canonical SMILES for lithium;4-(bromomethyl)-1-[4-[(1R,2S)-2-(4-fluorophenyl)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-ol;tert-butyl 4-methylidenepiperidine-1-carboxylate;1-[4-[(1R,2S)-2-(4-fluorophenyl)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-4-(hydroxymethyl)piperidin-4-ol;1-[4-[(1R,2S)-2-(4-fluorophenyl)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-4-methylidenepiperidine;[4-[(1R,2S)-2-(4-fluorophenyl)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;6-[4-[(1R,2S)-2-(4-fluorophenyl)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-1-oxa-6-azaspiro[2.5]octane;4-methylbenzenesulfonyl chloride;methylidenecyclohexane;3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;bromide;dihydrochloride is C=C1CCCCC1.C=C1CCN(C(=O)OC(C)(C)C)CC1.C=C1CCN(c2ccc([C@@H]3c4ccc(C)cc4CC[C@@H]3c3ccc(F)cc3)cc2)CC1.Cc1ccc(S(=O)(=O)Cl)cc1.Cc1ccc2c(c1)CC[C@H](c1ccc(F)cc1)[C@@H]2c1ccc(N2CCC(O)(CBr)CC2)cc1.Cc1ccc2c(c1)CC[C@H](c1ccc(F)cc1)[C@@H]2c1ccc(N2CCC(O)(CO)CC2)cc1.Cc1ccc2c(c1)CC[C@H](c1ccc(F)cc1)[C@@H]2c1ccc(N2CCC3(CC2)CO3)cc1.Cc1ccc2c(c1)CC[C@H](c1ccc(F)cc1)[C@@H]2c1ccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1.Cl.Cl.O=C1CCC(N2Cc3cc(N4CCNCC4)ccc3C2=O)C(=O)N1.[Br-].[Li+].
What is the InChIKey of lithium;4-(bromomethyl)-1-[4-[(1R,2S)-2-(4-fluorophenyl)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-ol;tert-butyl 4-methylidenepiperidine-1-carboxylate;1-[4-[(1R,2S)-2-(4-fluorophenyl)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-4-(hydroxymethyl)piperidin-4-ol;1-[4-[(1R,2S)-2-(4-fluorophenyl)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-4-methylidenepiperidine;[4-[(1R,2S)-2-(4-fluorophenyl)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;6-[4-[(1R,2S)-2-(4-fluorophenyl)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-1-oxa-6-azaspiro[2.5]octane;4-methylbenzenesulfonyl chloride;methylidenecyclohexane;3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;bromide;dihydrochloride?
The InChIKey is BSBPCGIUKWWNOV-WYDXFTIRSA-M. The full InChI is InChI=1S/C29H31BrFNO.C29H32FNO2.C29H30FNO.C29H30FN.C27H20F10O3S.C17H20N4O3.C11H19NO2.C7H7ClO2S.C7H12.BrH.2ClH.Li/c1-20-2-12-27-23(18-20)7-13-26(21-3-8-24(31)9-4-21)28(27)22-5-10-25(11-6-22)32-16-14-29(33,19-30)15-17-32;1-20-2-12-27-23(18-20)7-13-26(21-3-8-24(30)9-4-21)28(27)22-5-10-25(11-6-22)31-16-14-29(33,19-32)15-17-31;1-20-2-12-27-23(18-20)7-13-26(21-3-8-24(30)9-4-21)28(27)22-5-10-25(11-6-22)31-16-14-29(15-17-31)19-32-29;1-20-15-17-31(18-16-20)26-11-6-23(7-12-26)29-27(22-4-9-25(30)10-5-22)14-8-24-19-21(2)3-13-28(24)29;1-15-2-12-22-18(14-15)7-13-21(16-3-8-19(28)9-4-16)23(22)17-5-10-20(11-6-17)40-41(38,39)27(36,37)25(31,32)24(29,30)26(33,34)35;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;1-9-5-7-12(8-6-9)10(13)14-11(2,3)4;1-6-2-4-7(5-3-6)11(8,9)10;1-7-5-3-2-4-6-7;;;;/h2-6,8-12,18,26,28,33H,7,13-17,19H2,1H3;2-6,8-12,18,26,28,32-33H,7,13-17,19H2,1H3;2-6,8-12,18,26,28H,7,13-17,19H2,1H3;3-7,9-13,19,27,29H,1,8,14-18H2,2H3;2-6,8-12,14,21,23H,7,13H2,1H3;1-2,9,14,18H,3-8,10H2,(H,19,22,23);1,5-8H2,2-4H3;2-5H,1H3;1-6H2;3*1H;/q;;;;;;;;;;;;+1/p-1/t3*26-,28+;27-,29+;21-,23+;;;;;;;;/m11111......../s1.
What are the key properties of lithium;4-(bromomethyl)-1-[4-[(1R,2S)-2-(4-fluorophenyl)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-ol;tert-butyl 4-methylidenepiperidine-1-carboxylate;1-[4-[(1R,2S)-2-(4-fluorophenyl)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-4-(hydroxymethyl)piperidin-4-ol;1-[4-[(1R,2S)-2-(4-fluorophenyl)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-4-methylidenepiperidine;[4-[(1R,2S)-2-(4-fluorophenyl)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;6-[4-[(1R,2S)-2-(4-fluorophenyl)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-1-oxa-6-azaspiro[2.5]octane;4-methylbenzenesulfonyl chloride;methylidenecyclohexane;3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;bromide;dihydrochloride?
lithium;4-(bromomethyl)-1-[4-[(1R,2S)-2-(4-fluorophenyl)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-ol;tert-butyl 4-methylidenepiperidine-1-carboxylate;1-[4-[(1R,2S)-2-(4-fluorophenyl)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-4-(hydroxymethyl)piperidin-4-ol;1-[4-[(1R,2S)-2-(4-fluorophenyl)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-4-methylidenepiperidine;[4-[(1R,2S)-2-(4-fluorophenyl)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;6-[4-[(1R,2S)-2-(4-fluorophenyl)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-1-oxa-6-azaspiro[2.5]octane;4-methylbenzenesulfonyl chloride;methylidenecyclohexane;3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;bromide;dihydrochloride has a molecular weight of 3379.92 g/mol, XLogP of 35.40, 24 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;4-(bromomethyl)-1-[4-[(1R,2S)-2-(4-fluorophenyl)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-ol;tert-butyl 4-methylidenepiperidine-1-carboxylate;1-[4-[(1R,2S)-2-(4-fluorophenyl)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-4-(hydroxymethyl)piperidin-4-ol;1-[4-[(1R,2S)-2-(4-fluorophenyl)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-4-methylidenepiperidine;[4-[(1R,2S)-2-(4-fluorophenyl)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;6-[4-[(1R,2S)-2-(4-fluorophenyl)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-1-oxa-6-azaspiro[2.5]octane;4-methylbenzenesulfonyl chloride;methylidenecyclohexane;3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;bromide;dihydrochloride is sourced from PubChem (CID 159320236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).