1-butyl-5-[[4-(4-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

C118H136Cl2F12N10O5 — CID 158232470

IUPAC1-butyl-5-[[4-(4-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(Oc4ccc(Cl)cc4)CC3)ccc21.CCc1cc(OC(F)(F)F)ccc1-c1cn(CCCN)c2ccc(CN3CCC(Cc4ccccc4Cl)CC3)cc12
InChIInChI=1S/C33H37ClF3N3O.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;1-2-3-16-37-21-29(23-5-9-27(10-6-23)39-31(33,34)35)28-19-22(4-13-30(28)37)20-36-17-14-26(15-18-36)38-25-11-7-24(32)8-12-25;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;4-13,19,21,26H,2-3,14-18,20H2,1H3;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
InChIKeyGENXBIFEHSLTAL-UHFFFAOYSA-N
MW2073.33 g/mol
LogP31.14
Rot. Bonds36

About 1-butyl-5-[[4-(4-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-butyl-5-[[4-(4-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 158232470) has the molecular formula C118H136Cl2F12N10O5 and a molecular weight of 2073.33 g/mol. Its IUPAC name is 1-butyl-5-[[4-(4-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-butyl-5-[[4-(4-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 CID158232470
Molecular FormulaC118H136Cl2F12N10O5
Molecular Weight2073.33 g/mol
Exact Mass2070.99
IUPAC Name1-butyl-5-[[4-(4-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(Oc4ccc(Cl)cc4)CC3)ccc21.CCc1cc(OC(F)(F)F)ccc1-c1cn(CCCN)c2ccc(CN3CCC(Cc4ccccc4Cl)CC3)cc12
InChIInChI=1S/C33H37ClF3N3O.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;1-2-3-16-37-21-29(23-5-9-27(10-6-23)39-31(33,34)35)28-19-22(4-13-30(28)37)20-36-17-14-26(15-18-36)38-25-11-7-24(32)8-12-25;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;4-13,19,21,26H,2-3,14-18,20H2,1H3;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
InChIKeyGENXBIFEHSLTAL-UHFFFAOYSA-N
XLogP31.14
TPSA116.88 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds36
Heavy Atoms147
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002073.33
LogP ≤ 531.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Analyze 1-butyl-5-[[4-(4-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-(trifluoromethoxy)phenyl]-5-[[4-[(2-chloro-5-methoxyphenyl)methyl]piperazin-1-yl]methyl]indol-1-yl]propan-1-amine;dihydrochloride
CID 129185735
3-[3-[2-(Aminomethyl)-4-(trifluoromethoxy)phenyl]-5-[[4-[(2-chloro-5-methoxyphenyl)methyl]piperazin-1-yl]methyl]indol-1-yl]propan-1-amine
CID 129185736
[2-[5-[[4-[(2-Chlorophenyl)methyl]piperazin-1-yl]methyl]-1-piperidin-4-ylindol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine
CID 129185745
3-[5-[[4-(4-Chlorophenoxy)piperidin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;dihydrochloride
CID 129185881
[2-[5-[[4-[(2-Chlorophenyl)methyl]piperazin-1-yl]methyl]-1-(piperidin-4-ylmethyl)indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;dihydrochloride
CID 129186031
3-[5-[[2-[(2-Chlorophenyl)methyl]-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine
CID 129193438
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
CID 129193458
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
CID 129193478
3-[5-[[4-[(2-Chloro-5-methoxyphenyl)methyl]piperazin-1-yl]methyl]-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine
CID 129193759
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
3-[3-[2-(aminomethyl)-4-(trifluoromethoxy)phenyl]-5-[[4-[(2-chloro-4-methoxyphenyl)methyl]piperazin-1-yl]methyl]indol-1-yl]-1-N'-[3-[3-[2-(aminomethyl)-4-(trifluoromethoxy)phenyl]-5-[[4-[(2-chloro-3-methoxyphenyl)methyl]piperazin-1-yl]methyl]indol-1-yl]propyl]propane-1,1-diamine
CID 129201034
3-[5-[[4-[[4-[3-[2-[4-[[1-(3-Aminopropyl)-3-[4-(trifluoromethoxy)phenyl]indol-4-yl]methyl]piperazin-1-yl]ethyl]-4-chlorophenyl]phenyl]methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine
CID 129201400

Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-[[4-(4-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-butyl-5-[[4-(4-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 158232470) is 1-butyl-5-[[4-(4-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-butyl-5-[[4-(4-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-butyl-5-[[4-(4-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(Oc4ccc(Cl)cc4)CC3)ccc21.CCc1cc(OC(F)(F)F)ccc1-c1cn(CCCN)c2ccc(CN3CCC(Cc4ccccc4Cl)CC3)cc12.
What is the InChIKey of 1-butyl-5-[[4-(4-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 GENXBIFEHSLTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37ClF3N3O.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;1-2-3-16-37-21-29(23-5-9-27(10-6-23)39-31(33,34)35)28-19-22(4-13-30(28)37)20-36-17-14-26(15-18-36)38-25-11-7-24(32)8-12-25;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;4-13,19,21,26H,2-3,14-18,20H2,1H3;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-butyl-5-[[4-(4-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-butyl-5-[[4-(4-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 2073.33 g/mol, XLogP of 31.14, 36 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-[[4-(4-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 158232470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).