1-butyl-5-[[4-[(4-chloro-2-methylphenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[2-(2-chlorophenyl)ethyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole

C126H135Cl5F12N12O4 — CID 158686778

IUPAC1-butyl-5-[[4-[(4-chloro-2-methylphenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[2-(2-chlorophenyl)ethyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole
SMILESCCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCN(CCc4ccccc4Cl)CC3)ccc21.CCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)ccc21.CCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCN(Cc4ccc(Cl)cc4)CC3)ccc21.CCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCN(Cc4ccc(Cl)cc4C)CC3)ccc21
InChIInChI=1S/2C32H35ClF3N3O.C31H32Cl2F3N3O.C31H33ClF3N3O/c1-3-4-13-39-22-30(25-7-10-28(11-8-25)40-32(34,35)36)29-19-24(5-12-31(29)39)20-37-14-16-38(17-15-37)21-26-6-9-27(33)18-23(26)2;1-2-3-15-39-23-29(25-9-11-27(12-10-25)40-32(34,35)36)28-21-24(8-13-31(28)39)22-38-19-17-37(18-20-38)16-14-26-6-4-5-7-30(26)33;1-2-3-12-39-21-27(24-6-8-25(9-7-24)40-31(34,35)36)26-17-22(5-11-30(26)39)19-37-13-15-38(16-14-37)20-23-4-10-28(32)29(33)18-23;1-2-3-14-38-22-29(25-7-11-27(12-8-25)39-31(33,34)35)28-19-24(6-13-30(28)38)21-37-17-15-36(16-18-37)20-23-4-9-26(32)10-5-23/h5-12,18-19,22H,3-4,13-17,20-21H2,1-2H3;4-13,21,23H,2-3,14-20,22H2,1H3;4-11,17-18,21H,2-3,12-16,19-20H2,1H3;4-13,19,22H,2-3,14-18,20-21H2,1H3
InChIKeyIFVLSWJQNRGQMC-UHFFFAOYSA-N
MW2286.79 g/mol
LogP32.92
Rot. Bonds37

About 1-butyl-5-[[4-[(4-chloro-2-methylphenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[2-(2-chlorophenyl)ethyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole

1-butyl-5-[[4-[(4-chloro-2-methylphenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[2-(2-chlorophenyl)ethyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole (PubChem CID 158686778) has the molecular formula C126H135Cl5F12N12O4 and a molecular weight of 2286.79 g/mol. Its IUPAC name is 1-butyl-5-[[4-[(4-chloro-2-methylphenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[2-(2-chlorophenyl)ethyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole.

Molecular Properties

Compound Name1-butyl-5-[[4-[(4-chloro-2-methylphenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[2-(2-chlorophenyl)ethyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole
PubChem CID158686778
Molecular FormulaC126H135Cl5F12N12O4
Molecular Weight2286.79 g/mol
Exact Mass2282.90
IUPAC Name1-butyl-5-[[4-[(4-chloro-2-methylphenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[2-(2-chlorophenyl)ethyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole
SMILESCCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCN(CCc4ccccc4Cl)CC3)ccc21.CCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)ccc21.CCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCN(Cc4ccc(Cl)cc4)CC3)ccc21.CCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCN(Cc4ccc(Cl)cc4C)CC3)ccc21
InChIInChI=1S/2C32H35ClF3N3O.C31H32Cl2F3N3O.C31H33ClF3N3O/c1-3-4-13-39-22-30(25-7-10-28(11-8-25)40-32(34,35)36)29-19-24(5-12-31(29)39)20-37-14-16-38(17-15-37)21-26-6-9-27(33)18-23(26)2;1-2-3-15-39-23-29(25-9-11-27(12-10-25)40-32(34,35)36)28-21-24(8-13-31(28)39)22-38-19-17-37(18-20-38)16-14-26-6-4-5-7-30(26)33;1-2-3-12-39-21-27(24-6-8-25(9-7-24)40-31(34,35)36)26-17-22(5-11-30(26)39)19-37-13-15-38(16-14-37)20-23-4-10-28(32)29(33)18-23;1-2-3-14-38-22-29(25-7-11-27(12-8-25)39-31(33,34)35)28-19-24(6-13-30(28)38)21-37-17-15-36(16-18-37)20-23-4-9-26(32)10-5-23/h5-12,18-19,22H,3-4,13-17,20-21H2,1-2H3;4-13,21,23H,2-3,14-20,22H2,1H3;4-11,17-18,21H,2-3,12-16,19-20H2,1H3;4-13,19,22H,2-3,14-18,20-21H2,1H3
InChIKeyIFVLSWJQNRGQMC-UHFFFAOYSA-N
XLogP32.92
TPSA82.56 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds37
Heavy Atoms159
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002286.79
LogP ≤ 532.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 1-butyl-5-[[4-[(4-chloro-2-methylphenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[2-(2-chlorophenyl)ethyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole with MolForge

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Related Compounds

3-[5-[[4-[(3,4-Dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;dihydrochloride
CID 129185856
1-Butyl-5-[[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole
CID 129193526
1-Butyl-5-[[4-[(4-chloro-2-methylphenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole
CID 129193530
1-Butyl-5-[[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole
CID 129193547
5-[[4-[(2-Chlorophenyl)methyl]piperazin-1-yl]methyl]-1-(3-pyridin-2-ylpropyl)-3-[4-(trifluoromethoxy)phenyl]indole
CID 129193555
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
1-[3-(Aminomethyl)-4-[1-(3-aminopropyl)-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]phenyl]-3-[5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine
CID 129201440
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
N-[3-[5-[[4-[[2,6-bis(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]-6-[4-chloro-3-[[4-[[1-[3-(piperazine-2-carbonylamino)propyl]-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperazin-1-yl]methyl]phenyl]piperazine-2-carboxamide
CID 129203999
N-[[2-(3-chlorophenyl)-3-pyridinyl]methyl]-4-[1-[3-[5-[[5-[(2,6-dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propylamino]ethenyl]piperidin-4-amine
CID 145323404
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
5-[[4-[(2,6-Dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-pentyl-3-[4-(trifluoromethoxy)phenyl]indole;5-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentanal;3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;methane;methyl formate
CID 157128120

Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-[[4-[(4-chloro-2-methylphenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[2-(2-chlorophenyl)ethyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole?
The IUPAC name of 1-butyl-5-[[4-[(4-chloro-2-methylphenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[2-(2-chlorophenyl)ethyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole (CID 158686778) is 1-butyl-5-[[4-[(4-chloro-2-methylphenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[2-(2-chlorophenyl)ethyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole.
What is the SMILES notation for 1-butyl-5-[[4-[(4-chloro-2-methylphenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[2-(2-chlorophenyl)ethyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole?
The canonical SMILES for 1-butyl-5-[[4-[(4-chloro-2-methylphenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[2-(2-chlorophenyl)ethyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole is CCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCN(CCc4ccccc4Cl)CC3)ccc21.CCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)ccc21.CCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCN(Cc4ccc(Cl)cc4)CC3)ccc21.CCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCN(Cc4ccc(Cl)cc4C)CC3)ccc21.
What is the InChIKey of 1-butyl-5-[[4-[(4-chloro-2-methylphenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[2-(2-chlorophenyl)ethyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole?
The InChIKey is IFVLSWJQNRGQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C32H35ClF3N3O.C31H32Cl2F3N3O.C31H33ClF3N3O/c1-3-4-13-39-22-30(25-7-10-28(11-8-25)40-32(34,35)36)29-19-24(5-12-31(29)39)20-37-14-16-38(17-15-37)21-26-6-9-27(33)18-23(26)2;1-2-3-15-39-23-29(25-9-11-27(12-10-25)40-32(34,35)36)28-21-24(8-13-31(28)39)22-38-19-17-37(18-20-38)16-14-26-6-4-5-7-30(26)33;1-2-3-12-39-21-27(24-6-8-25(9-7-24)40-31(34,35)36)26-17-22(5-11-30(26)39)19-37-13-15-38(16-14-37)20-23-4-10-28(32)29(33)18-23;1-2-3-14-38-22-29(25-7-11-27(12-8-25)39-31(33,34)35)28-19-24(6-13-30(28)38)21-37-17-15-36(16-18-37)20-23-4-9-26(32)10-5-23/h5-12,18-19,22H,3-4,13-17,20-21H2,1-2H3;4-13,21,23H,2-3,14-20,22H2,1H3;4-11,17-18,21H,2-3,12-16,19-20H2,1H3;4-13,19,22H,2-3,14-18,20-21H2,1H3.
What are the key properties of 1-butyl-5-[[4-[(4-chloro-2-methylphenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[2-(2-chlorophenyl)ethyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole?
1-butyl-5-[[4-[(4-chloro-2-methylphenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[2-(2-chlorophenyl)ethyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole has a molecular weight of 2286.79 g/mol, XLogP of 32.92, 37 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-[[4-[(4-chloro-2-methylphenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[2-(2-chlorophenyl)ethyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole is sourced from PubChem (CID 158686778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).