1-[3-(1H-indol-2-yl)phenyl]-N-(2-piperazin-1-ylethyl)piperidin-4-amine;1-methyl-N-[1-[3-(3-methyl-1H-indol-2-yl)phenyl]piperidin-4-yl]piperidin-4-amine;1-[3-(5-methylsulfonyl-1H-indol-2-yl)phenyl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine;1-[3-[5-(pentafluoro-λ6-sulfanyl)-1H-indol-2-yl]phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;2,2,2-trifluoroethylbenzene

C115H150F8N18O2S2 — CID 164984742

IUPAC1-[3-(1H-indol-2-yl)phenyl]-N-(2-piperazin-1-ylethyl)piperidin-4-amine;1-methyl-N-[1-[3-(3-methyl-1H-indol-2-yl)phenyl]piperidin-4-yl]piperidin-4-amine;1-[3-(5-methylsulfonyl-1H-indol-2-yl)phenyl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine;1-[3-[5-(pentafluoro-λ6-sulfanyl)-1H-indol-2-yl]phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;2,2,2-trifluoroethylbenzene
SMILESCC(C)N1CCC(NC2CCN(c3cccc(-c4cc5cc(S(C)(=O)=O)ccc5[nH]4)c3)CC2)CC1.CC(C)N1CCN(CCNC2CCN(c3cccc(-c4cc5cc(S(F)(F)(F)(F)F)ccc5[nH]4)c3)CC2)CC1.Cc1c(-c2cccc(N3CCC(NC4CCN(C)CC4)CC3)c2)[nH]c2ccccc12.FC(F)(F)Cc1ccccc1.c1cc(-c2cc3ccccc3[nH]2)cc(N2CCC(NCCN3CCNCC3)CC2)c1
InChIInChI=1S/C28H38F5N5S.C28H38N4O2S.C26H34N4.C25H33N5.C8H7F3/c1-21(2)37-16-14-36(15-17-37)13-10-34-24-8-11-38(12-9-24)25-5-3-4-22(18-25)28-20-23-19-26(6-7-27(23)35-28)39(29,30,31,32)33;1-20(2)31-13-9-23(10-14-31)29-24-11-15-32(16-12-24)25-6-4-5-21(17-25)28-19-22-18-26(35(3,33)34)7-8-27(22)30-28;1-19-24-8-3-4-9-25(24)28-26(19)20-6-5-7-23(18-20)30-16-12-22(13-17-30)27-21-10-14-29(2)15-11-21;1-2-7-24-21(4-1)19-25(28-24)20-5-3-6-23(18-20)30-13-8-22(9-14-30)27-12-17-29-15-10-26-11-16-29;9-8(10,11)6-7-4-2-1-3-5-7/h3-7,18-21,24,34-35H,8-17H2,1-2H3;4-8,17-20,23-24,29-30H,9-16H2,1-3H3;3-9,18,21-22,27-28H,10-17H2,1-2H3;1-7,18-19,22,26-28H,8-17H2;1-5H,6H2
InChIKeyFZOFOJFLRBURLX-UHFFFAOYSA-N
MW2032.71 g/mol
LogP22.63
Rot. Bonds25

About 1-[3-(1H-indol-2-yl)phenyl]-N-(2-piperazin-1-ylethyl)piperidin-4-amine;1-methyl-N-[1-[3-(3-methyl-1H-indol-2-yl)phenyl]piperidin-4-yl]piperidin-4-amine;1-[3-(5-methylsulfonyl-1H-indol-2-yl)phenyl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine;1-[3-[5-(pentafluoro-λ6-sulfanyl)-1H-indol-2-yl]phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;2,2,2-trifluoroethylbenzene

1-[3-(1H-indol-2-yl)phenyl]-N-(2-piperazin-1-ylethyl)piperidin-4-amine;1-methyl-N-[1-[3-(3-methyl-1H-indol-2-yl)phenyl]piperidin-4-yl]piperidin-4-amine;1-[3-(5-methylsulfonyl-1H-indol-2-yl)phenyl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine;1-[3-[5-(pentafluoro-λ6-sulfanyl)-1H-indol-2-yl]phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;2,2,2-trifluoroethylbenzene (PubChem CID 164984742) has the molecular formula C115H150F8N18O2S2 and a molecular weight of 2032.71 g/mol. Its IUPAC name is 1-[3-(1H-indol-2-yl)phenyl]-N-(2-piperazin-1-ylethyl)piperidin-4-amine;1-methyl-N-[1-[3-(3-methyl-1H-indol-2-yl)phenyl]piperidin-4-yl]piperidin-4-amine;1-[3-(5-methylsulfonyl-1H-indol-2-yl)phenyl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine;1-[3-[5-(pentafluoro-λ6-sulfanyl)-1H-indol-2-yl]phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;2,2,2-trifluoroethylbenzene.

Molecular Properties

Compound Name1-[3-(1H-indol-2-yl)phenyl]-N-(2-piperazin-1-ylethyl)piperidin-4-amine;1-methyl-N-[1-[3-(3-methyl-1H-indol-2-yl)phenyl]piperidin-4-yl]piperidin-4-amine;1-[3-(5-methylsulfonyl-1H-indol-2-yl)phenyl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine;1-[3-[5-(pentafluoro-λ6-sulfanyl)-1H-indol-2-yl]phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;2,2,2-trifluoroethylbenzene
PubChem CID164984742
Molecular FormulaC115H150F8N18O2S2
Molecular Weight2032.71 g/mol
Exact Mass2031.15
IUPAC Name1-[3-(1H-indol-2-yl)phenyl]-N-(2-piperazin-1-ylethyl)piperidin-4-amine;1-methyl-N-[1-[3-(3-methyl-1H-indol-2-yl)phenyl]piperidin-4-yl]piperidin-4-amine;1-[3-(5-methylsulfonyl-1H-indol-2-yl)phenyl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine;1-[3-[5-(pentafluoro-λ6-sulfanyl)-1H-indol-2-yl]phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;2,2,2-trifluoroethylbenzene
SMILESCC(C)N1CCC(NC2CCN(c3cccc(-c4cc5cc(S(C)(=O)=O)ccc5[nH]4)c3)CC2)CC1.CC(C)N1CCN(CCNC2CCN(c3cccc(-c4cc5cc(S(F)(F)(F)(F)F)ccc5[nH]4)c3)CC2)CC1.Cc1c(-c2cccc(N3CCC(NC4CCN(C)CC4)CC3)c2)[nH]c2ccccc12.FC(F)(F)Cc1ccccc1.c1cc(-c2cc3ccccc3[nH]2)cc(N2CCC(NCCN3CCNCC3)CC2)c1
InChIInChI=1S/C28H38F5N5S.C28H38N4O2S.C26H34N4.C25H33N5.C8H7F3/c1-21(2)37-16-14-36(15-17-37)13-10-34-24-8-11-38(12-9-24)25-5-3-4-22(18-25)28-20-23-19-26(6-7-27(23)35-28)39(29,30,31,32)33;1-20(2)31-13-9-23(10-14-31)29-24-11-15-32(16-12-24)25-6-4-5-21(17-25)28-19-22-18-26(35(3,33)34)7-8-27(22)30-28;1-19-24-8-3-4-9-25(24)28-26(19)20-6-5-7-23(18-20)30-16-12-22(13-17-30)27-21-10-14-29(2)15-11-21;1-2-7-24-21(4-1)19-25(28-24)20-5-3-6-23(18-20)30-13-8-22(9-14-30)27-12-17-29-15-10-26-11-16-29;9-8(10,11)6-7-4-2-1-3-5-7/h3-7,18-21,24,34-35H,8-17H2,1-2H3;4-8,17-20,23-24,29-30H,9-16H2,1-3H3;3-9,18,21-22,27-28H,10-17H2,1-2H3;1-7,18-19,22,26-28H,8-17H2;1-5H,6H2
InChIKeyFZOFOJFLRBURLX-UHFFFAOYSA-N
XLogP22.63
TPSA186.61 Ų
H-Bond Donors9
H-Bond Acceptors16
Rotatable Bonds25
Heavy Atoms145
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002032.71
LogP ≤ 522.63
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1016

Analyze 1-[3-(1H-indol-2-yl)phenyl]-N-(2-piperazin-1-ylethyl)piperidin-4-amine;1-methyl-N-[1-[3-(3-methyl-1H-indol-2-yl)phenyl]piperidin-4-yl]piperidin-4-amine;1-[3-(5-methylsulfonyl-1H-indol-2-yl)phenyl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine;1-[3-[5-(pentafluoro-λ6-sulfanyl)-1H-indol-2-yl]phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;2,2,2-trifluoroethylbenzene with MolForge

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Related Compounds

1-[3-(5-amino-1H-inden-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;N-benzyl-2-[3-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]phenyl]-1H-indene-5-sulfonamide;2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indole-6-carbonitrile;2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-1-yl]phenyl]-1H-indole;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-[5-(trifluoromethyl)-1H-indol-2-yl]phenyl]piperidin-4-amine
CID 158285354
1-[3-(1H-indol-2-yl)phenyl]-N-[2-[4-[(1S)-2,2,2-trifluoro-1-phenylethyl]piperazin-1-yl]ethyl]piperidin-4-amine;1-[3-(5-methylsulfonyl-1H-inden-2-yl)phenyl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine;1-[3-[5-(pentafluoro-lambda6-sulfanyl)-1H-indol-2-yl]phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine
CID 158518793
3-[1-(benzenesulfonyl)piperidin-4-yl]-6-fluoro-1H-indole;3-[1-(1,1-difluoroethylsulfonyl)piperidin-4-yl]-6-fluoro-1H-indole;4-(1H-indol-3-yl)-N,N-dimethylpiperazine-1-sulfonamide;N-[[4-(1H-indol-3-yl)piperazin-1-yl]-methylidene-oxo-lambda6-sulfanyl]methanamine
CID 160538619
1-butyl-N-[3,5-difluoro-4-[(1R,3R)-3-methyl-2-methylsulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenyl]azetidin-3-amine;1-butyl-N-[3,5-difluoro-4-[(1R,3R)-3-methyl-2-(2,2,2-trifluoroethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenyl]azetidin-3-amine;1-butyl-N-[4-[(1R,3R)-3-methyl-2-methylsulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenyl]azetidin-3-amine;1-butyl-N-[4-[(1S,3R)-3-methyl-2-methylsulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenyl]azetidin-3-amine
CID 162249349
3-(difluoromethyl)-1-(3-methylphenyl)sulfonyl-4-(4-methylpiperazin-1-yl)indole;tris(3-(difluoromethyl)-1-(3-methylphenyl)sulfonyl-N-piperidin-4-ylindol-4-amine)
CID 158155274
N-tert-butyl-2-[5-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]-3-pyridinyl]-1H-indole-5-sulfonamide;1-methyl-N-[1-[5-(3-methyl-1H-indol-2-yl)-3-pyridinyl]piperidin-4-yl]piperidin-4-amine;N-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methyl]-1-[3-(5-methylsulfonyl-1H-indol-2-yl)phenyl]piperidin-4-amine;1-[5-(5-methylsulfonyl-1H-indol-2-yl)-3-pyridinyl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine;1-[3-[5-(pentafluoro-lambda6-sulfanyl)-1H-indol-2-yl]phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine
CID 159388176
8-(benzenesulfonyl)-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-(benzenesulfonyl)-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole;8-(3-chlorophenyl)sulfonyl-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-(3-chlorophenyl)sulfonyl-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole;8-(3-fluorophenyl)sulfonyl-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-(3-fluorophenyl)sulfonyl-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 160583298
1-(Benzenesulfonyl)-3-(difluoromethyl)-5-piperazin-1-ylindole;tris(3-(difluoromethyl)-1-(3-methylphenyl)sulfonyl-5-piperazin-1-ylindole);3-(difluoromethyl)-1-(4-methylphenyl)sulfonyl-5-piperazin-1-ylindole
CID 161305069

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1H-indol-2-yl)phenyl]-N-(2-piperazin-1-ylethyl)piperidin-4-amine;1-methyl-N-[1-[3-(3-methyl-1H-indol-2-yl)phenyl]piperidin-4-yl]piperidin-4-amine;1-[3-(5-methylsulfonyl-1H-indol-2-yl)phenyl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine;1-[3-[5-(pentafluoro-λ6-sulfanyl)-1H-indol-2-yl]phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;2,2,2-trifluoroethylbenzene?
The IUPAC name of 1-[3-(1H-indol-2-yl)phenyl]-N-(2-piperazin-1-ylethyl)piperidin-4-amine;1-methyl-N-[1-[3-(3-methyl-1H-indol-2-yl)phenyl]piperidin-4-yl]piperidin-4-amine;1-[3-(5-methylsulfonyl-1H-indol-2-yl)phenyl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine;1-[3-[5-(pentafluoro-λ6-sulfanyl)-1H-indol-2-yl]phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;2,2,2-trifluoroethylbenzene (CID 164984742) is 1-[3-(1H-indol-2-yl)phenyl]-N-(2-piperazin-1-ylethyl)piperidin-4-amine;1-methyl-N-[1-[3-(3-methyl-1H-indol-2-yl)phenyl]piperidin-4-yl]piperidin-4-amine;1-[3-(5-methylsulfonyl-1H-indol-2-yl)phenyl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine;1-[3-[5-(pentafluoro-λ6-sulfanyl)-1H-indol-2-yl]phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;2,2,2-trifluoroethylbenzene.
What is the SMILES notation for 1-[3-(1H-indol-2-yl)phenyl]-N-(2-piperazin-1-ylethyl)piperidin-4-amine;1-methyl-N-[1-[3-(3-methyl-1H-indol-2-yl)phenyl]piperidin-4-yl]piperidin-4-amine;1-[3-(5-methylsulfonyl-1H-indol-2-yl)phenyl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine;1-[3-[5-(pentafluoro-λ6-sulfanyl)-1H-indol-2-yl]phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;2,2,2-trifluoroethylbenzene?
The canonical SMILES for 1-[3-(1H-indol-2-yl)phenyl]-N-(2-piperazin-1-ylethyl)piperidin-4-amine;1-methyl-N-[1-[3-(3-methyl-1H-indol-2-yl)phenyl]piperidin-4-yl]piperidin-4-amine;1-[3-(5-methylsulfonyl-1H-indol-2-yl)phenyl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine;1-[3-[5-(pentafluoro-λ6-sulfanyl)-1H-indol-2-yl]phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;2,2,2-trifluoroethylbenzene is CC(C)N1CCC(NC2CCN(c3cccc(-c4cc5cc(S(C)(=O)=O)ccc5[nH]4)c3)CC2)CC1.CC(C)N1CCN(CCNC2CCN(c3cccc(-c4cc5cc(S(F)(F)(F)(F)F)ccc5[nH]4)c3)CC2)CC1.Cc1c(-c2cccc(N3CCC(NC4CCN(C)CC4)CC3)c2)[nH]c2ccccc12.FC(F)(F)Cc1ccccc1.c1cc(-c2cc3ccccc3[nH]2)cc(N2CCC(NCCN3CCNCC3)CC2)c1.
What is the InChIKey of 1-[3-(1H-indol-2-yl)phenyl]-N-(2-piperazin-1-ylethyl)piperidin-4-amine;1-methyl-N-[1-[3-(3-methyl-1H-indol-2-yl)phenyl]piperidin-4-yl]piperidin-4-amine;1-[3-(5-methylsulfonyl-1H-indol-2-yl)phenyl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine;1-[3-[5-(pentafluoro-λ6-sulfanyl)-1H-indol-2-yl]phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;2,2,2-trifluoroethylbenzene?
The InChIKey is FZOFOJFLRBURLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38F5N5S.C28H38N4O2S.C26H34N4.C25H33N5.C8H7F3/c1-21(2)37-16-14-36(15-17-37)13-10-34-24-8-11-38(12-9-24)25-5-3-4-22(18-25)28-20-23-19-26(6-7-27(23)35-28)39(29,30,31,32)33;1-20(2)31-13-9-23(10-14-31)29-24-11-15-32(16-12-24)25-6-4-5-21(17-25)28-19-22-18-26(35(3,33)34)7-8-27(22)30-28;1-19-24-8-3-4-9-25(24)28-26(19)20-6-5-7-23(18-20)30-16-12-22(13-17-30)27-21-10-14-29(2)15-11-21;1-2-7-24-21(4-1)19-25(28-24)20-5-3-6-23(18-20)30-13-8-22(9-14-30)27-12-17-29-15-10-26-11-16-29;9-8(10,11)6-7-4-2-1-3-5-7/h3-7,18-21,24,34-35H,8-17H2,1-2H3;4-8,17-20,23-24,29-30H,9-16H2,1-3H3;3-9,18,21-22,27-28H,10-17H2,1-2H3;1-7,18-19,22,26-28H,8-17H2;1-5H,6H2.
What are the key properties of 1-[3-(1H-indol-2-yl)phenyl]-N-(2-piperazin-1-ylethyl)piperidin-4-amine;1-methyl-N-[1-[3-(3-methyl-1H-indol-2-yl)phenyl]piperidin-4-yl]piperidin-4-amine;1-[3-(5-methylsulfonyl-1H-indol-2-yl)phenyl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine;1-[3-[5-(pentafluoro-λ6-sulfanyl)-1H-indol-2-yl]phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;2,2,2-trifluoroethylbenzene?
1-[3-(1H-indol-2-yl)phenyl]-N-(2-piperazin-1-ylethyl)piperidin-4-amine;1-methyl-N-[1-[3-(3-methyl-1H-indol-2-yl)phenyl]piperidin-4-yl]piperidin-4-amine;1-[3-(5-methylsulfonyl-1H-indol-2-yl)phenyl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine;1-[3-[5-(pentafluoro-λ6-sulfanyl)-1H-indol-2-yl]phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;2,2,2-trifluoroethylbenzene has a molecular weight of 2032.71 g/mol, XLogP of 22.63, 25 rotatable bonds, 9 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1H-indol-2-yl)phenyl]-N-(2-piperazin-1-ylethyl)piperidin-4-amine;1-methyl-N-[1-[3-(3-methyl-1H-indol-2-yl)phenyl]piperidin-4-yl]piperidin-4-amine;1-[3-(5-methylsulfonyl-1H-indol-2-yl)phenyl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine;1-[3-[5-(pentafluoro-λ6-sulfanyl)-1H-indol-2-yl]phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;2,2,2-trifluoroethylbenzene is sourced from PubChem (CID 164984742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).