1-butyl-5-[[4-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;[2-[1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]phenyl]methanamine;1-butyl-5-[[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-3-[4-(trifluoromethoxy)phenyl]-5-[[4-[[3-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methyl]indole

C152H162Cl5F21N16O5 — CID 159066584

About 1-butyl-5-[[4-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;[2-[1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]phenyl]methanamine;1-butyl-5-[[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-3-[4-(trifluoromethoxy)phenyl]-5-[[4-[[3-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methyl]indole

1-butyl-5-[[4-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;[2-[1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]phenyl]methanamine;1-butyl-5-[[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-3-[4-(trifluoromethoxy)phenyl]-5-[[4-[[3-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methyl]indole (PubChem CID 159066584) has the molecular formula C152H162Cl5F21N16O5 and a molecular weight of 2869.30 g/mol. Its IUPAC name is 1-butyl-5-[[4-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;[2-[1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]phenyl]methanamine;1-butyl-5-[[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-3-[4-(trifluoromethoxy)phenyl]-5-[[4-[[3-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methyl]indole.

Molecular Properties

• Compound Name: 1-butyl-5-[[4-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;[2-[1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]phenyl]methanamine;1-butyl-5-[[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-3-[4-(trifluoromethoxy)phenyl]-5-[[4-[[3-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methyl]indole
• PubChem CID: 159066584
• Molecular Formula: C152H162Cl5F21N16O5
• Molecular Weight: 2869.30 g/mol
• Exact Mass: 2865.10
• IUPAC Name: 1-butyl-5-[[4-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;[2-[1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]phenyl]methanamine;1-butyl-5-[[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-3-[4-(trifluoromethoxy)phenyl]-5-[[4-[[3-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methyl]indole
• SMILES: CCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCN(CC(F)(F)F)CC3)ccc21.CCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCN(Cc4cc(Cl)ccc4Cl)CC3)ccc21.CCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCN(Cc4cccc(C(F)(F)F)c4Cl)CC3)ccc21.CCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCN(Cc4cccc(OC(F)(F)F)c4)CC3)ccc21.CCCCn1cc(-c2ccccc2CN)c2cc(CN3CCN(Cc4c(Cl)cccc4Cl)CC3)ccc21
• InChI: InChI=1S/C32H32ClF6N3O.C32H33F6N3O2.C31H32Cl2F3N3O.C31H36Cl2N4.C26H29F6N3O/c1-2-3-13-42-21-27(23-8-10-25(11-9-23)43-32(37,38)39)26-18-22(7-12-29(26)42)19-40-14-16-41(17-15-40)20-24-5-4-6-28(30(24)33)31(34,35)36;1-2-3-13-41-22-29(25-8-10-26(11-9-25)42-31(33,34)35)28-19-24(7-12-30(28)41)21-40-16-14-39(15-17-40)20-23-5-4-6-27(18-23)43-32(36,37)38;1-2-3-12-39-21-28(23-5-8-26(9-6-23)40-31(34,35)36)27-17-22(4-11-30(27)39)19-37-13-15-38(16-14-37)20-24-18-25(32)7-10-29(24)33;1-2-3-13-37-22-27(25-8-5-4-7-24(25)19-34)26-18-23(11-12-31(26)37)20-35-14-16-36(17-15-35)21-28-29(32)9-6-10-30(28)33;1-2-3-10-35-17-23(20-5-7-21(8-6-20)36-26(30,31)32)22-15-19(4-9-24(22)35)16-33-11-13-34(14-12-33)18-25(27,28)29/h4-12,18,21H,2-3,13-17,19-20H2,1H3;4-12,18-19,22H,2-3,13-17,20-21H2,1H3;4-11,17-18,21H,2-3,12-16,19-20H2,1H3;4-12,18,22H,2-3,13-17,19-21,34H2,1H3;4-9,15,17H,2-3,10-14,16,18H2,1H3
• InChIKey: JZCZSHMMCPVEKN-UHFFFAOYSA-N
• XLogP: 39.73
• TPSA: 129.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 21
• Rotatable Bonds: 45
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2869.30
LogP ≤ 5	39.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-[[4-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;[2-[1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]phenyl]methanamine;1-butyl-5-[[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-3-[4-(trifluoromethoxy)phenyl]-5-[[4-[[3-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methyl]indole?

The IUPAC name of 1-butyl-5-[[4-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;[2-[1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]phenyl]methanamine;1-butyl-5-[[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-3-[4-(trifluoromethoxy)phenyl]-5-[[4-[[3-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methyl]indole (CID 159066584) is 1-butyl-5-[[4-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;[2-[1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]phenyl]methanamine;1-butyl-5-[[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-3-[4-(trifluoromethoxy)phenyl]-5-[[4-[[3-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methyl]indole.

What is the SMILES notation for 1-butyl-5-[[4-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;[2-[1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]phenyl]methanamine;1-butyl-5-[[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-3-[4-(trifluoromethoxy)phenyl]-5-[[4-[[3-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methyl]indole?

The canonical SMILES for 1-butyl-5-[[4-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;[2-[1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]phenyl]methanamine;1-butyl-5-[[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-3-[4-(trifluoromethoxy)phenyl]-5-[[4-[[3-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methyl]indole is CCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCN(CC(F)(F)F)CC3)ccc21.CCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCN(Cc4cc(Cl)ccc4Cl)CC3)ccc21.CCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCN(Cc4cccc(C(F)(F)F)c4Cl)CC3)ccc21.CCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCN(Cc4cccc(OC(F)(F)F)c4)CC3)ccc21.CCCCn1cc(-c2ccccc2CN)c2cc(CN3CCN(Cc4c(Cl)cccc4Cl)CC3)ccc21.

What is the InChIKey of 1-butyl-5-[[4-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;[2-[1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]phenyl]methanamine;1-butyl-5-[[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-3-[4-(trifluoromethoxy)phenyl]-5-[[4-[[3-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methyl]indole?

The InChIKey is JZCZSHMMCPVEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32ClF6N3O.C32H33F6N3O2.C31H32Cl2F3N3O.C31H36Cl2N4.C26H29F6N3O/c1-2-3-13-42-21-27(23-8-10-25(11-9-23)43-32(37,38)39)26-18-22(7-12-29(26)42)19-40-14-16-41(17-15-40)20-24-5-4-6-28(30(24)33)31(34,35)36;1-2-3-13-41-22-29(25-8-10-26(11-9-25)42-31(33,34)35)28-19-24(7-12-30(28)41)21-40-16-14-39(15-17-40)20-23-5-4-6-27(18-23)43-32(36,37)38;1-2-3-12-39-21-28(23-5-8-26(9-6-23)40-31(34,35)36)27-17-22(4-11-30(27)39)19-37-13-15-38(16-14-37)20-24-18-25(32)7-10-29(24)33;1-2-3-13-37-22-27(25-8-5-4-7-24(25)19-34)26-18-23(11-12-31(26)37)20-35-14-16-36(17-15-35)21-28-29(32)9-6-10-30(28)33;1-2-3-10-35-17-23(20-5-7-21(8-6-20)36-26(30,31)32)22-15-19(4-9-24(22)35)16-33-11-13-34(14-12-33)18-25(27,28)29/h4-12,18,21H,2-3,13-17,19-20H2,1H3;4-12,18-19,22H,2-3,13-17,20-21H2,1H3;4-11,17-18,21H,2-3,12-16,19-20H2,1H3;4-12,18,22H,2-3,13-17,19-21,34H2,1H3;4-9,15,17H,2-3,10-14,16,18H2,1H3.

What are the key properties of 1-butyl-5-[[4-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;[2-[1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]phenyl]methanamine;1-butyl-5-[[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-3-[4-(trifluoromethoxy)phenyl]-5-[[4-[[3-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methyl]indole?

1-butyl-5-[[4-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;[2-[1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]phenyl]methanamine;1-butyl-5-[[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-3-[4-(trifluoromethoxy)phenyl]-5-[[4-[[3-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methyl]indole has a molecular weight of 2869.30 g/mol, XLogP of 39.73, 45 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 1-butyl-5-[[4-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;[2-[1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]phenyl]methanamine;1-butyl-5-[[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-3-[4-(trifluoromethoxy)phenyl]-5-[[4-[[3-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methyl]indole is sourced from PubChem (CID 159066584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).