[1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-4-[(3-methylphenyl)methyl]piperidin-4-yl]methanol;1-butyl-5-(piperidin-1-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]indole;1-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperidin-4-ol;4-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]thiomorpholine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]methyl]indol-1-yl]propan-1-amine

C143H167F15N12O8S — CID 160616273

IUPAC[1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-4-[(3-methylphenyl)methyl]piperidin-4-yl]methanol;1-butyl-5-(piperidin-1-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]indole;1-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperidin-4-ol;4-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]thiomorpholine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]methyl]indol-1-yl]propan-1-amine
SMILESCCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCC(O)CC3)ccc21.CCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCCCC3)ccc21.CCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCSCC3)ccc21.CCc1cc(OC(F)(F)F)ccc1-c1cn(CCCN)c2ccc(CC3CCN(Cc4cccc(OC)c4)CC3)cc12.CCc1cc(OC(F)(F)F)ccc1-c1cn(CCCN)c2ccc(CN3CCC(CO)(Cc4cccc(C)c4)CC3)cc12
InChIInChI=1S/C35H42F3N3O2.C34H40F3N3O2.C25H29F3N2O2.C25H29F3N2O.C24H27F3N2OS/c1-3-28-20-29(43-35(36,37)38)9-10-30(28)32-23-41(15-5-14-39)33-11-8-27(19-31(32)33)22-40-16-12-34(24-42,13-17-40)21-26-7-4-6-25(2)18-26;1-3-27-21-29(42-34(35,36)37)9-10-30(27)32-23-40(15-5-14-38)33-11-8-25(20-31(32)33)18-24-12-16-39(17-13-24)22-26-6-4-7-28(19-26)41-2;1-2-3-12-30-17-23(19-5-7-21(8-6-19)32-25(26,27)28)22-15-18(4-9-24(22)30)16-29-13-10-20(31)11-14-29;1-2-3-15-30-18-23(20-8-10-21(11-9-20)31-25(26,27)28)22-16-19(7-12-24(22)30)17-29-13-5-4-6-14-29;1-2-3-10-29-17-22(19-5-7-20(8-6-19)30-24(25,26)27)21-15-18(4-9-23(21)29)16-28-11-13-31-14-12-28/h4,6-11,18-20,23,42H,3,5,12-17,21-22,24,39H2,1-2H3;4,6-11,19-21,23-24H,3,5,12-18,22,38H2,1-2H3;4-9,15,17,20,31H,2-3,10-14,16H2,1H3;7-12,16,18H,2-6,13-15,17H2,1H3;4-9,15,17H,2-3,10-14,16H2,1H3
InChIKeyRGDCKFNGQQMZFZ-UHFFFAOYSA-N
MW2499.02 g/mol
LogP34.34
Rot. Bonds43

About [1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-4-[(3-methylphenyl)methyl]piperidin-4-yl]methanol;1-butyl-5-(piperidin-1-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]indole;1-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperidin-4-ol;4-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]thiomorpholine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]methyl]indol-1-yl]propan-1-amine

[1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-4-[(3-methylphenyl)methyl]piperidin-4-yl]methanol;1-butyl-5-(piperidin-1-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]indole;1-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperidin-4-ol;4-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]thiomorpholine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]methyl]indol-1-yl]propan-1-amine (PubChem CID 160616273) has the molecular formula C143H167F15N12O8S and a molecular weight of 2499.02 g/mol. Its IUPAC name is [1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-4-[(3-methylphenyl)methyl]piperidin-4-yl]methanol;1-butyl-5-(piperidin-1-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]indole;1-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperidin-4-ol;4-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]thiomorpholine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]methyl]indol-1-yl]propan-1-amine.

Molecular Properties

Compound Name[1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-4-[(3-methylphenyl)methyl]piperidin-4-yl]methanol;1-butyl-5-(piperidin-1-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]indole;1-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperidin-4-ol;4-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]thiomorpholine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]methyl]indol-1-yl]propan-1-amine
PubChem CID160616273
Molecular FormulaC143H167F15N12O8S
Molecular Weight2499.02 g/mol
Exact Mass2497.25
IUPAC Name[1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-4-[(3-methylphenyl)methyl]piperidin-4-yl]methanol;1-butyl-5-(piperidin-1-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]indole;1-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperidin-4-ol;4-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]thiomorpholine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]methyl]indol-1-yl]propan-1-amine
SMILESCCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCC(O)CC3)ccc21.CCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCCCC3)ccc21.CCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCSCC3)ccc21.CCc1cc(OC(F)(F)F)ccc1-c1cn(CCCN)c2ccc(CC3CCN(Cc4cccc(OC)c4)CC3)cc12.CCc1cc(OC(F)(F)F)ccc1-c1cn(CCCN)c2ccc(CN3CCC(CO)(Cc4cccc(C)c4)CC3)cc12
InChIInChI=1S/C35H42F3N3O2.C34H40F3N3O2.C25H29F3N2O2.C25H29F3N2O.C24H27F3N2OS/c1-3-28-20-29(43-35(36,37)38)9-10-30(28)32-23-41(15-5-14-39)33-11-8-27(19-31(32)33)22-40-16-12-34(24-42,13-17-40)21-26-7-4-6-25(2)18-26;1-3-27-21-29(42-34(35,36)37)9-10-30(27)32-23-40(15-5-14-38)33-11-8-25(20-31(32)33)18-24-12-16-39(17-13-24)22-26-6-4-7-28(19-26)41-2;1-2-3-12-30-17-23(19-5-7-21(8-6-19)32-25(26,27)28)22-15-18(4-9-24(22)30)16-29-13-10-20(31)11-14-29;1-2-3-15-30-18-23(20-8-10-21(11-9-20)31-25(26,27)28)22-16-19(7-12-24(22)30)17-29-13-5-4-6-14-29;1-2-3-10-29-17-22(19-5-7-20(8-6-19)30-24(25,26)27)21-15-18(4-9-23(21)29)16-28-11-13-31-14-12-28/h4,6-11,18-20,23,42H,3,5,12-17,21-22,24,39H2,1-2H3;4,6-11,19-21,23-24H,3,5,12-18,22,38H2,1-2H3;4-9,15,17,20,31H,2-3,10-14,16H2,1H3;7-12,16,18H,2-6,13-15,17H2,1H3;4-9,15,17H,2-3,10-14,16H2,1H3
InChIKeyRGDCKFNGQQMZFZ-UHFFFAOYSA-N
XLogP34.34
TPSA188.73 Ų
H-Bond Donors4
H-Bond Acceptors21
Rotatable Bonds43
Heavy Atoms179
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002499.02
LogP ≤ 534.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1021

Analyze [1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-4-[(3-methylphenyl)methyl]piperidin-4-yl]methanol;1-butyl-5-(piperidin-1-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]indole;1-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperidin-4-ol;4-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]thiomorpholine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]methyl]indol-1-yl]propan-1-amine with MolForge

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Related Compounds

1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-N-(2-chlorophenyl)piperidin-4-amine;1-butyl-5-[[4-(3-chlorophenoxy)piperidin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[(4-ethylpiperidin-1-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-N-ethylpiperidin-4-amine;3-[5-[[4-[(2-chlorophenyl)methyl]piperidin-1-yl]methyl]-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine
CID 157052330
1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-N-(3-chlorophenyl)piperidin-4-amine;1-butyl-5-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]oxy-3-[4-(trifluoromethoxy)phenyl]indole;3-[5-[[2-[(2-chlorophenyl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]methyl]-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;3-[5-[[8-[(2-chlorophenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]methyl]-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;3-[5-[(4-ethylpiperidin-1-yl)methyl]-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine
CID 157202683
[2-[5-[[4-[(2-Chlorophenyl)methyl]piperazin-1-yl]methyl]-1-(4,4-dimethylpentyl)indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[4-[(3-methoxy-5-methylphenyl)methyl]piperazin-1-yl]methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[4-[[3-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methyl]indol-1-yl]propan-1-amine
CID 157634151
2-[[1-Butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-8-[(3,5-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decane;2-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-8-[(3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane;1-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperidin-4-ol
CID 157860416
[2-[2-Carbazol-9-yl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;2-(2,3-diphenylbenzene-6-id-1-yl)-4-methoxypyridine;3-[4-(hydroxymethyl)-2-pyridinyl]-4,5-diphenylbenzene-2-ide-1-carbonitrile;4-hydroxypent-3-en-2-one;[2-(3-isocyano-5-phenylbenzene-6-id-1-yl)-4-pyridinyl]methanol;4-methoxy-2-[5-methyl-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine;9-[2-(4-methoxy-2-pyridinyl)-4-methylbenzene-3-id-1-yl]carbazole;platinum;tris(platinum(2+));[2-[5-(trifluoromethyl)-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-4-pyridinyl]methanol
CID 157954871
1-(1-Aminocyclohexyl)-5-[5-[[5-[[2-methyl-6-(trifluoromethoxy)phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;5-[5-[(5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]-1-piperidin-2-ylpentan-1-one;5-[5-[[5-[(2,6-dimethylphenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]-1-piperidin-2-ylpentan-1-one;5-[5-[[5-[(2-methylphenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]-1-piperidin-2-ylpentan-1-one
CID 158518897
5-(1,1-difluoroethyl)-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline;2-(5,7-difluoro-6-methyl-1H-indol-3-yl)-8-fluoroquinoline;8-fluoro-2-(5-fluoro-6-methyl-1H-indol-3-yl)quinoline;2-(4-fluoro-7-methyl-1H-indol-3-yl)quinoline;2-(1H-indol-3-yl)-3,3-dimethylindole;3-(1H-indol-3-yl)quinoline;2-(6-methoxy-1H-indol-3-yl)-4-methylquinoline;[2-(4-methyl-3H-inden-1-yl)quinolin-5-yl]methanol;6-methyl-2-(7-methyl-1H-indol-3-yl)quinoline
CID 159141055
1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-N-ethylpiperidin-3-amine;3-[5-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-(2-ethyl-4-methylphenyl)indol-1-yl]propan-1-amine;3-[5-[(4,4-dimethylpiperidin-1-yl)methyl]-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;3-[3-(2-ethyl-4-methoxyphenyl)-5-[(1-ethylpiperidin-4-yl)methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]indol-1-yl]propan-1-amine
CID 159233429
1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-N-(3-chlorophenyl)piperidin-4-amine;3-[5-[(4-ethylpiperidin-1-yl)methyl]-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(morpholin-4-ylmethyl)indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(piperidin-1-ylmethyl)indol-1-yl]propan-1-amine
CID 159706244
1-[[1-(3-Aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperidin-4-ol;1-butyl-5-(piperidin-1-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]indole;[1-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-4-[(3-methylphenyl)methyl]piperidin-4-yl]methanol;4-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]thiomorpholine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]methyl]indol-1-yl]propan-1-amine
CID 159968485
1-[[1-(3-Aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperidin-4-ol;4-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]morpholine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(piperidin-1-ylmethyl)indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(thiomorpholin-4-ylmethyl)indol-1-yl]propan-1-amine
CID 160136840
1-(1-Aminocyclohexyl)-5-[5-[[4-[(2-methoxy-6-methylphenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[[4-[[2-methyl-6-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[3-[4-(trifluoromethoxy)phenyl]-5-[[4-[[2-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methyl]indol-1-yl]pentan-1-one;5-[5-[(4-benzylpiperazin-1-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]-1-piperidin-2-ylpentan-1-one;5-[5-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]-1-piperidin-2-ylpentan-1-one
CID 160357676

Frequently Asked Questions

What is the IUPAC name of [1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-4-[(3-methylphenyl)methyl]piperidin-4-yl]methanol;1-butyl-5-(piperidin-1-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]indole;1-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperidin-4-ol;4-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]thiomorpholine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]methyl]indol-1-yl]propan-1-amine?
The IUPAC name of [1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-4-[(3-methylphenyl)methyl]piperidin-4-yl]methanol;1-butyl-5-(piperidin-1-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]indole;1-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperidin-4-ol;4-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]thiomorpholine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]methyl]indol-1-yl]propan-1-amine (CID 160616273) is [1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-4-[(3-methylphenyl)methyl]piperidin-4-yl]methanol;1-butyl-5-(piperidin-1-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]indole;1-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperidin-4-ol;4-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]thiomorpholine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]methyl]indol-1-yl]propan-1-amine.
What is the SMILES notation for [1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-4-[(3-methylphenyl)methyl]piperidin-4-yl]methanol;1-butyl-5-(piperidin-1-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]indole;1-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperidin-4-ol;4-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]thiomorpholine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]methyl]indol-1-yl]propan-1-amine?
The canonical SMILES for [1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-4-[(3-methylphenyl)methyl]piperidin-4-yl]methanol;1-butyl-5-(piperidin-1-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]indole;1-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperidin-4-ol;4-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]thiomorpholine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]methyl]indol-1-yl]propan-1-amine is CCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCC(O)CC3)ccc21.CCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCCCC3)ccc21.CCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCSCC3)ccc21.CCc1cc(OC(F)(F)F)ccc1-c1cn(CCCN)c2ccc(CC3CCN(Cc4cccc(OC)c4)CC3)cc12.CCc1cc(OC(F)(F)F)ccc1-c1cn(CCCN)c2ccc(CN3CCC(CO)(Cc4cccc(C)c4)CC3)cc12.
What is the InChIKey of [1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-4-[(3-methylphenyl)methyl]piperidin-4-yl]methanol;1-butyl-5-(piperidin-1-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]indole;1-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperidin-4-ol;4-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]thiomorpholine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]methyl]indol-1-yl]propan-1-amine?
The InChIKey is RGDCKFNGQQMZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H42F3N3O2.C34H40F3N3O2.C25H29F3N2O2.C25H29F3N2O.C24H27F3N2OS/c1-3-28-20-29(43-35(36,37)38)9-10-30(28)32-23-41(15-5-14-39)33-11-8-27(19-31(32)33)22-40-16-12-34(24-42,13-17-40)21-26-7-4-6-25(2)18-26;1-3-27-21-29(42-34(35,36)37)9-10-30(27)32-23-40(15-5-14-38)33-11-8-25(20-31(32)33)18-24-12-16-39(17-13-24)22-26-6-4-7-28(19-26)41-2;1-2-3-12-30-17-23(19-5-7-21(8-6-19)32-25(26,27)28)22-15-18(4-9-24(22)30)16-29-13-10-20(31)11-14-29;1-2-3-15-30-18-23(20-8-10-21(11-9-20)31-25(26,27)28)22-16-19(7-12-24(22)30)17-29-13-5-4-6-14-29;1-2-3-10-29-17-22(19-5-7-20(8-6-19)30-24(25,26)27)21-15-18(4-9-23(21)29)16-28-11-13-31-14-12-28/h4,6-11,18-20,23,42H,3,5,12-17,21-22,24,39H2,1-2H3;4,6-11,19-21,23-24H,3,5,12-18,22,38H2,1-2H3;4-9,15,17,20,31H,2-3,10-14,16H2,1H3;7-12,16,18H,2-6,13-15,17H2,1H3;4-9,15,17H,2-3,10-14,16H2,1H3.
What are the key properties of [1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-4-[(3-methylphenyl)methyl]piperidin-4-yl]methanol;1-butyl-5-(piperidin-1-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]indole;1-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperidin-4-ol;4-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]thiomorpholine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]methyl]indol-1-yl]propan-1-amine?
[1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-4-[(3-methylphenyl)methyl]piperidin-4-yl]methanol;1-butyl-5-(piperidin-1-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]indole;1-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperidin-4-ol;4-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]thiomorpholine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]methyl]indol-1-yl]propan-1-amine has a molecular weight of 2499.02 g/mol, XLogP of 34.34, 43 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-4-[(3-methylphenyl)methyl]piperidin-4-yl]methanol;1-butyl-5-(piperidin-1-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]indole;1-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperidin-4-ol;4-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]thiomorpholine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]methyl]indol-1-yl]propan-1-amine is sourced from PubChem (CID 160616273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).