1-butyl-5-[[4-[(2-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;5-[1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]pyridin-2-amine;[4-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperazin-1-yl]-(2-chlorophenyl)methanone

C122H129Cl6F6N15O3 — CID 158901233

About 1-butyl-5-[[4-[(2-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;5-[1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]pyridin-2-amine;[4-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperazin-1-yl]-(2-chlorophenyl)methanone

1-butyl-5-[[4-[(2-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;5-[1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]pyridin-2-amine;[4-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperazin-1-yl]-(2-chlorophenyl)methanone (PubChem CID 158901233) has the molecular formula C122H129Cl6F6N15O3 and a molecular weight of 2180.18 g/mol. Its IUPAC name is 1-butyl-5-[[4-[(2-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;5-[1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]pyridin-2-amine;[4-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperazin-1-yl]-(2-chlorophenyl)methanone.

Molecular Properties

• Compound Name: 1-butyl-5-[[4-[(2-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;5-[1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]pyridin-2-amine;[4-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperazin-1-yl]-(2-chlorophenyl)methanone
• PubChem CID: 158901233
• Molecular Formula: C122H129Cl6F6N15O3
• Molecular Weight: 2180.18 g/mol
• Exact Mass: 2175.84
• IUPAC Name: 1-butyl-5-[[4-[(2-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;5-[1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]pyridin-2-amine;[4-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperazin-1-yl]-(2-chlorophenyl)methanone
• SMILES: CCCCn1cc(-c2ccc(N)nc2)c2cc(CN3CCN(Cc4c(Cl)cccc4Cl)CC3)ccc21.CCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCN(C(=O)c4ccccc4Cl)CC3)ccc21.CCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCN(Cc4ccccc4Cl)CC3)ccc21.CCCCn1cc(-c2cccc(C#N)c2)c2cc(CN3CCN(Cc4c(Cl)cccc4Cl)CC3)ccc21
• InChI: InChI=1S/C31H32Cl2N4.C31H31ClF3N3O2.C31H33ClF3N3O.C29H33Cl2N5/c1-2-3-12-37-22-27(25-7-4-6-23(17-25)19-34)26-18-24(10-11-31(26)37)20-35-13-15-36(16-14-35)21-28-29(32)8-5-9-30(28)33;1-2-3-14-38-21-27(23-9-11-24(12-10-23)40-31(33,34)35)26-19-22(8-13-29(26)38)20-36-15-17-37(18-16-36)30(39)25-6-4-5-7-28(25)32;1-2-3-14-38-22-28(24-9-11-26(12-10-24)39-31(33,34)35)27-19-23(8-13-30(27)38)20-36-15-17-37(18-16-36)21-25-6-4-5-7-29(25)32;1-2-3-11-36-20-24(22-8-10-29(32)33-17-22)23-16-21(7-9-28(23)36)18-34-12-14-35(15-13-34)19-25-26(30)5-4-6-27(25)31/h4-11,17-18,22H,2-3,12-16,20-21H2,1H3;4-13,19,21H,2-3,14-18,20H2,1H3;4-13,19,22H,2-3,14-18,20-21H2,1H3;4-10,16-17,20H,2-3,11-15,18-19H2,1H3,(H2,32,33)
• InChIKey: JFLXNGHCLSYLCV-UHFFFAOYSA-N
• XLogP: 29.91
• TPSA: 143.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 17
• Rotatable Bonds: 33
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2180.18
LogP ≤ 5	29.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-[[4-[(2-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;5-[1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]pyridin-2-amine;[4-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperazin-1-yl]-(2-chlorophenyl)methanone?

The IUPAC name of 1-butyl-5-[[4-[(2-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;5-[1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]pyridin-2-amine;[4-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperazin-1-yl]-(2-chlorophenyl)methanone (CID 158901233) is 1-butyl-5-[[4-[(2-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;5-[1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]pyridin-2-amine;[4-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperazin-1-yl]-(2-chlorophenyl)methanone.

What is the SMILES notation for 1-butyl-5-[[4-[(2-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;5-[1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]pyridin-2-amine;[4-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperazin-1-yl]-(2-chlorophenyl)methanone?

The canonical SMILES for 1-butyl-5-[[4-[(2-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;5-[1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]pyridin-2-amine;[4-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperazin-1-yl]-(2-chlorophenyl)methanone is CCCCn1cc(-c2ccc(N)nc2)c2cc(CN3CCN(Cc4c(Cl)cccc4Cl)CC3)ccc21.CCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCN(C(=O)c4ccccc4Cl)CC3)ccc21.CCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCN(Cc4ccccc4Cl)CC3)ccc21.CCCCn1cc(-c2cccc(C#N)c2)c2cc(CN3CCN(Cc4c(Cl)cccc4Cl)CC3)ccc21.

What is the InChIKey of 1-butyl-5-[[4-[(2-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;5-[1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]pyridin-2-amine;[4-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperazin-1-yl]-(2-chlorophenyl)methanone?

The InChIKey is JFLXNGHCLSYLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32Cl2N4.C31H31ClF3N3O2.C31H33ClF3N3O.C29H33Cl2N5/c1-2-3-12-37-22-27(25-7-4-6-23(17-25)19-34)26-18-24(10-11-31(26)37)20-35-13-15-36(16-14-35)21-28-29(32)8-5-9-30(28)33;1-2-3-14-38-21-27(23-9-11-24(12-10-23)40-31(33,34)35)26-19-22(8-13-29(26)38)20-36-15-17-37(18-16-36)30(39)25-6-4-5-7-28(25)32;1-2-3-14-38-22-28(24-9-11-26(12-10-24)39-31(33,34)35)27-19-23(8-13-30(27)38)20-36-15-17-37(18-16-36)21-25-6-4-5-7-29(25)32;1-2-3-11-36-20-24(22-8-10-29(32)33-17-22)23-16-21(7-9-28(23)36)18-34-12-14-35(15-13-34)19-25-26(30)5-4-6-27(25)31/h4-11,17-18,22H,2-3,12-16,20-21H2,1H3;4-13,19,21H,2-3,14-18,20H2,1H3;4-13,19,22H,2-3,14-18,20-21H2,1H3;4-10,16-17,20H,2-3,11-15,18-19H2,1H3,(H2,32,33).

What are the key properties of 1-butyl-5-[[4-[(2-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;5-[1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]pyridin-2-amine;[4-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperazin-1-yl]-(2-chlorophenyl)methanone?

1-butyl-5-[[4-[(2-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;5-[1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]pyridin-2-amine;[4-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperazin-1-yl]-(2-chlorophenyl)methanone has a molecular weight of 2180.18 g/mol, XLogP of 29.91, 33 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 1-butyl-5-[[4-[(2-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;5-[1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]pyridin-2-amine;[4-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperazin-1-yl]-(2-chlorophenyl)methanone is sourced from PubChem (CID 158901233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).