[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-(4-ethylpiperidin-1-yl)methanone;[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]-methoxymethyl]-2,4-dimethylphenyl]-piperidin-1-ylmethanone

C101H105Cl6F12N9O5 — CID 159636883

About [2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-(4-ethylpiperidin-1-yl)methanone;[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]-methoxymethyl]-2,4-dimethylphenyl]-piperidin-1-ylmethanone

[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-(4-ethylpiperidin-1-yl)methanone;[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]-methoxymethyl]-2,4-dimethylphenyl]-piperidin-1-ylmethanone (PubChem CID 159636883) has the molecular formula C101H105Cl6F12N9O5 and a molecular weight of 1965.70 g/mol. Its IUPAC name is [2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-(4-ethylpiperidin-1-yl)methanone;[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]-methoxymethyl]-2,4-dimethylphenyl]-piperidin-1-ylmethanone.

Molecular Properties

• Compound Name: [2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-(4-ethylpiperidin-1-yl)methanone;[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]-methoxymethyl]-2,4-dimethylphenyl]-piperidin-1-ylmethanone
• PubChem CID: 159636883
• Molecular Formula: C101H105Cl6F12N9O5
• Molecular Weight: 1965.70 g/mol
• Exact Mass: 1961.62
• IUPAC Name: [2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-(4-ethylpiperidin-1-yl)methanone;[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]-methoxymethyl]-2,4-dimethylphenyl]-piperidin-1-ylmethanone
• SMILES: CC1CCN(C(=O)c2ccc(Cl)c(Cc3cc4ccc(C(F)(F)F)cc4n3C)c2Cl)CC1.CCC1CCN(C(=O)c2ccc(Cl)c(Cc3cc4ccc(C(F)(F)F)cc4n3C)c2Cl)CC1.CN(C)C1CCN(C(=O)c2ccc(Cl)c(Cc3cc4ccc(C(F)(F)F)cc4n3C)c2Cl)CC1.COC(c1c(C)ccc(C(=O)N2CCCCC2)c1C)c1cc2c(C)cc(C(F)(F)F)cc2n1C
• InChI: InChI=1S/C27H31F3N2O2.C25H26Cl2F3N3O.C25H25Cl2F3N2O.C24H23Cl2F3N2O/c1-16-9-10-20(26(33)32-11-7-6-8-12-32)18(3)24(16)25(34-5)23-15-21-17(2)13-19(27(28,29)30)14-22(21)31(23)4;1-31(2)17-8-10-33(11-9-17)24(34)19-6-7-21(26)20(23(19)27)14-18-12-15-4-5-16(25(28,29)30)13-22(15)32(18)3;1-3-15-8-10-32(11-9-15)24(33)19-6-7-21(26)20(23(19)27)14-18-12-16-4-5-17(25(28,29)30)13-22(16)31(18)2;1-14-7-9-31(10-8-14)23(32)18-5-6-20(25)19(22(18)26)13-17-11-15-3-4-16(24(27,28)29)12-21(15)30(17)2/h9-10,13-15,25H,6-8,11-12H2,1-5H3;4-7,12-13,17H,8-11,14H2,1-3H3;4-7,12-13,15H,3,8-11,14H2,1-2H3;3-6,11-12,14H,7-10,13H2,1-2H3
• InChIKey: MPVYGTMMXDPLIG-UHFFFAOYSA-N
• XLogP: 27.07
• TPSA: 113.43 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 15
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1965.70
LogP ≤ 5	27.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of [2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-(4-ethylpiperidin-1-yl)methanone;[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]-methoxymethyl]-2,4-dimethylphenyl]-piperidin-1-ylmethanone?

The IUPAC name of [2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-(4-ethylpiperidin-1-yl)methanone;[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]-methoxymethyl]-2,4-dimethylphenyl]-piperidin-1-ylmethanone (CID 159636883) is [2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-(4-ethylpiperidin-1-yl)methanone;[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]-methoxymethyl]-2,4-dimethylphenyl]-piperidin-1-ylmethanone.

What is the SMILES notation for [2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-(4-ethylpiperidin-1-yl)methanone;[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]-methoxymethyl]-2,4-dimethylphenyl]-piperidin-1-ylmethanone?

The canonical SMILES for [2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-(4-ethylpiperidin-1-yl)methanone;[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]-methoxymethyl]-2,4-dimethylphenyl]-piperidin-1-ylmethanone is CC1CCN(C(=O)c2ccc(Cl)c(Cc3cc4ccc(C(F)(F)F)cc4n3C)c2Cl)CC1.CCC1CCN(C(=O)c2ccc(Cl)c(Cc3cc4ccc(C(F)(F)F)cc4n3C)c2Cl)CC1.CN(C)C1CCN(C(=O)c2ccc(Cl)c(Cc3cc4ccc(C(F)(F)F)cc4n3C)c2Cl)CC1.COC(c1c(C)ccc(C(=O)N2CCCCC2)c1C)c1cc2c(C)cc(C(F)(F)F)cc2n1C.

What is the InChIKey of [2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-(4-ethylpiperidin-1-yl)methanone;[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]-methoxymethyl]-2,4-dimethylphenyl]-piperidin-1-ylmethanone?

The InChIKey is MPVYGTMMXDPLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31F3N2O2.C25H26Cl2F3N3O.C25H25Cl2F3N2O.C24H23Cl2F3N2O/c1-16-9-10-20(26(33)32-11-7-6-8-12-32)18(3)24(16)25(34-5)23-15-21-17(2)13-19(27(28,29)30)14-22(21)31(23)4;1-31(2)17-8-10-33(11-9-17)24(34)19-6-7-21(26)20(23(19)27)14-18-12-15-4-5-16(25(28,29)30)13-22(15)32(18)3;1-3-15-8-10-32(11-9-15)24(33)19-6-7-21(26)20(23(19)27)14-18-12-16-4-5-17(25(28,29)30)13-22(16)31(18)2;1-14-7-9-31(10-8-14)23(32)18-5-6-20(25)19(22(18)26)13-17-11-15-3-4-16(24(27,28)29)12-21(15)30(17)2/h9-10,13-15,25H,6-8,11-12H2,1-5H3;4-7,12-13,17H,8-11,14H2,1-3H3;4-7,12-13,15H,3,8-11,14H2,1-2H3;3-6,11-12,14H,7-10,13H2,1-2H3.

What are the key properties of [2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-(4-ethylpiperidin-1-yl)methanone;[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]-methoxymethyl]-2,4-dimethylphenyl]-piperidin-1-ylmethanone?

[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-(4-ethylpiperidin-1-yl)methanone;[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]-methoxymethyl]-2,4-dimethylphenyl]-piperidin-1-ylmethanone has a molecular weight of 1965.70 g/mol, XLogP of 27.07, 15 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-(4-ethylpiperidin-1-yl)methanone;[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]-methoxymethyl]-2,4-dimethylphenyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 159636883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).