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

C150H172Cl3F15N14O6 — CID 157052330

IUPAC1-[[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
SMILESCCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCC(CC)CC3)ccc21.CCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCC(NCC)CC3)ccc21.CCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCC(Oc4cccc(Cl)c4)CC3)ccc21.CCc1cc(OC(F)(F)F)ccc1-c1cn(CCCN)c2ccc(CN3CCC(Cc4ccccc4Cl)CC3)cc12.CCc1cc(OC(F)(F)F)ccc1-c1cn(CCCN)c2ccc(CN3CCC(Nc4ccccc4Cl)CC3)cc12
InChIInChI=1S/C33H37ClF3N3O.C32H36ClF3N4O.C31H32ClF3N2O2.C27H34F3N3O.C27H33F3N2O/c1-2-25-20-27(41-33(35,36)37)9-10-28(25)30-22-40(15-5-14-38)32-11-8-24(19-29(30)32)21-39-16-12-23(13-17-39)18-26-6-3-4-7-31(26)34;1-2-23-19-25(41-32(34,35)36)9-10-26(23)28-21-40(15-5-14-37)31-11-8-22(18-27(28)31)20-39-16-12-24(13-17-39)38-30-7-4-3-6-29(30)33;1-2-3-15-37-21-29(23-8-10-26(11-9-23)39-31(33,34)35)28-18-22(7-12-30(28)37)20-36-16-13-25(14-17-36)38-27-6-4-5-24(32)19-27;1-3-5-14-33-19-25(21-7-9-23(10-8-21)34-27(28,29)30)24-17-20(6-11-26(24)33)18-32-15-12-22(13-16-32)31-4-2;1-3-5-14-32-19-25(22-7-9-23(10-8-22)33-27(28,29)30)24-17-21(6-11-26(24)32)18-31-15-12-20(4-2)13-16-31/h3-4,6-11,19-20,22-23H,2,5,12-18,21,38H2,1H3;3-4,6-11,18-19,21,24,38H,2,5,12-17,20,37H2,1H3;4-12,18-19,21,25H,2-3,13-17,20H2,1H3;6-11,17,19,22,31H,3-5,12-16,18H2,1-2H3;6-11,17,19-20H,3-5,12-16,18H2,1-2H3
InChIKeyAAIWTLJJZZCDOF-UHFFFAOYSA-N
MW2658.45 g/mol
LogP38.99
Rot. Bonds46

About 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

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 (PubChem CID 157052330) has the molecular formula C150H172Cl3F15N14O6 and a molecular weight of 2658.45 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[[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
PubChem CID157052330
Molecular FormulaC150H172Cl3F15N14O6
Molecular Weight2658.45 g/mol
Exact Mass2655.24
IUPAC Name1-[[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
SMILESCCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCC(CC)CC3)ccc21.CCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCC(NCC)CC3)ccc21.CCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCC(Oc4cccc(Cl)c4)CC3)ccc21.CCc1cc(OC(F)(F)F)ccc1-c1cn(CCCN)c2ccc(CN3CCC(Cc4ccccc4Cl)CC3)cc12.CCc1cc(OC(F)(F)F)ccc1-c1cn(CCCN)c2ccc(CN3CCC(Nc4ccccc4Cl)CC3)cc12
InChIInChI=1S/C33H37ClF3N3O.C32H36ClF3N4O.C31H32ClF3N2O2.C27H34F3N3O.C27H33F3N2O/c1-2-25-20-27(41-33(35,36)37)9-10-28(25)30-22-40(15-5-14-38)32-11-8-24(19-29(30)32)21-39-16-12-23(13-17-39)18-26-6-3-4-7-31(26)34;1-2-23-19-25(41-32(34,35)36)9-10-26(23)28-21-40(15-5-14-37)31-11-8-22(18-27(28)31)20-39-16-12-24(13-17-39)38-30-7-4-3-6-29(30)33;1-2-3-15-37-21-29(23-8-10-26(11-9-23)39-31(33,34)35)28-18-22(7-12-30(28)37)20-36-16-13-25(14-17-36)38-27-6-4-5-24(32)19-27;1-3-5-14-33-19-25(21-7-9-23(10-8-21)34-27(28,29)30)24-17-20(6-11-26(24)33)18-32-15-12-22(13-16-32)31-4-2;1-3-5-14-32-19-25(22-7-9-23(10-8-22)33-27(28,29)30)24-17-21(6-11-26(24)32)18-31-15-12-20(4-2)13-16-31/h3-4,6-11,19-20,22-23H,2,5,12-18,21,38H2,1H3;3-4,6-11,18-19,21,24,38H,2,5,12-17,20,37H2,1H3;4-12,18-19,21,25H,2-3,13-17,20H2,1H3;6-11,17,19,22,31H,3-5,12-16,18H2,1-2H3;6-11,17,19-20H,3-5,12-16,18H2,1-2H3
InChIKeyAAIWTLJJZZCDOF-UHFFFAOYSA-N
XLogP38.99
TPSA172.33 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds46
Heavy Atoms188
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002658.45
LogP ≤ 538.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Analyze 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 with MolForge

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Related Compounds

3-[3-[2-(Aminomethyl)-4-[[3-[3-[2-(aminomethyl)-4-(trifluoromethoxy)phenyl]-5-(morpholin-4-ylmethyl)indol-1-yl]propylamino]methyl]phenyl]-5-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]indol-1-yl]propan-1-amine
CID 129200950
N-[3-[5-[[5-[[2,6-bis(trifluoromethyl)phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]-6-[4-chloro-3-[[5-[[1-[3-(piperazine-2-carbonylamino)propyl]-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]piperazine-2-carboxamide
CID 129203828
1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-N-(3-chlorophenyl)piperidin-4-amine;1-butyl-5-[4-[(2-chlorophenyl)methyl]piperidin-1-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 157144673
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
1-Butyl-5-[[4-[(2-chloro-3-methoxyphenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;3-[1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]benzonitrile;[4-[1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]phenyl]methanamine;1-butyl-5-[[4-[(3-methoxy-5-methylphenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole
CID 157334359
1-(1-Aminocyclohexyl)-5-[5-[[5-[(2,6-dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-phenylindol-1-yl]pentan-1-one;5-[5-[[5-[(2-methoxy-6-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;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]-1-piperidin-2-ylpentan-1-one;1-piperidin-2-yl-5-[3-[4-(trifluoromethoxy)phenyl]-5-[[5-[[2-(trifluoromethoxy)phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]indol-1-yl]pentan-1-one
CID 157386399
1-butyl-5-[[4-(2-chlorophenoxy)piperidin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-(4-chlorophenoxy)piperidin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-N-(2-chlorophenyl)piperidin-4-amine;1-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-N-(3-chlorophenyl)piperidin-4-amine;1-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-N-(4-chlorophenyl)piperidin-4-amine
CID 157406006
1-Butyl-4-[[1-[2-(4-chlorophenoxy)ethyl]-1,3-diazinan-4-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-4-[[4-[2-(2-chlorophenyl)ethyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole
CID 157407041
[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
N-[3,3-bis(4-fluorophenyl)propyl]-3-pyridin-3-ylpyrrolidine-1-carboxamide;N-[(2-chloro-4-fluorophenyl)methyl]-3-pyridin-3-ylpyrrolidine-1-carboxamide;N-[(2,4-dichlorophenyl)methyl]-3-pyridin-3-ylpyrrolidine-1-carboxamide;4-(4-fluorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide;4-(4-fluorophenoxy)-N-[[3-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide;4-(4-fluorophenoxy)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidine-1-carboxamide;N-(naphthalen-1-ylmethyl)-3-pyridin-3-ylpyrrolidine-1-carboxamide;N-[2-(4-phenylphenyl)ethyl]-3-pyridin-3-ylpyrrolidine-1-carboxamide;N-[(2S)-2-phenylpropyl]-3-pyridin-3-ylpyrrolidine-1-carboxamide;3-pyridin-3-yl-N-(pyridin-2-ylmethyl)pyrrolidine-1-carboxamide
CID 157807412
1-Butyl-5-[[4-[(2-chloro-5-fluorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[2-(2-chlorophenyl)propan-2-yl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;[3-[1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]phenyl]methanamine;1-butyl-5-[[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;3-[3-(2-chlorophenyl)-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-1-yl]propan-1-amine
CID 158007498
5-[5-[[5-[(2,6-Dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-(4-methoxyphenyl)indol-1-yl]-1-piperidin-2-ylpentan-1-one;5-[5-[[5-[(2,6-dichlorophenyl)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 158131328

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCC(CC)CC3)ccc21.CCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCC(NCC)CC3)ccc21.CCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCC(Oc4cccc(Cl)c4)CC3)ccc21.CCc1cc(OC(F)(F)F)ccc1-c1cn(CCCN)c2ccc(CN3CCC(Cc4ccccc4Cl)CC3)cc12.CCc1cc(OC(F)(F)F)ccc1-c1cn(CCCN)c2ccc(CN3CCC(Nc4ccccc4Cl)CC3)cc12.
What is the InChIKey of 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?
The InChIKey is AAIWTLJJZZCDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37ClF3N3O.C32H36ClF3N4O.C31H32ClF3N2O2.C27H34F3N3O.C27H33F3N2O/c1-2-25-20-27(41-33(35,36)37)9-10-28(25)30-22-40(15-5-14-38)32-11-8-24(19-29(30)32)21-39-16-12-23(13-17-39)18-26-6-3-4-7-31(26)34;1-2-23-19-25(41-32(34,35)36)9-10-26(23)28-21-40(15-5-14-37)31-11-8-22(18-27(28)31)20-39-16-12-24(13-17-39)38-30-7-4-3-6-29(30)33;1-2-3-15-37-21-29(23-8-10-26(11-9-23)39-31(33,34)35)28-18-22(7-12-30(28)37)20-36-16-13-25(14-17-36)38-27-6-4-5-24(32)19-27;1-3-5-14-33-19-25(21-7-9-23(10-8-21)34-27(28,29)30)24-17-20(6-11-26(24)33)18-32-15-12-22(13-16-32)31-4-2;1-3-5-14-32-19-25(22-7-9-23(10-8-22)33-27(28,29)30)24-17-21(6-11-26(24)32)18-31-15-12-20(4-2)13-16-31/h3-4,6-11,19-20,22-23H,2,5,12-18,21,38H2,1H3;3-4,6-11,18-19,21,24,38H,2,5,12-17,20,37H2,1H3;4-12,18-19,21,25H,2-3,13-17,20H2,1H3;6-11,17,19,22,31H,3-5,12-16,18H2,1-2H3;6-11,17,19-20H,3-5,12-16,18H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 2658.45 g/mol, XLogP of 38.99, 46 rotatable bonds, 4 hydrogen bond donors, and 20 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]-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 is sourced from PubChem (CID 157052330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).