1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-N-(3-chlorophenyl)piperidin-4-amine;3-[5-[(4-ethylpiperidin-1-yl)methyl]-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(morpholin-4-ylmethyl)indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(piperidin-1-ylmethyl)indol-1-yl]propan-1-amine

C145H174ClF15N16O7 — CID 159706244

About 1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-N-(3-chlorophenyl)piperidin-4-amine;3-[5-[(4-ethylpiperidin-1-yl)methyl]-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(morpholin-4-ylmethyl)indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(piperidin-1-ylmethyl)indol-1-yl]propan-1-amine

1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-N-(3-chlorophenyl)piperidin-4-amine;3-[5-[(4-ethylpiperidin-1-yl)methyl]-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(morpholin-4-ylmethyl)indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(piperidin-1-ylmethyl)indol-1-yl]propan-1-amine (PubChem CID 159706244) has the molecular formula C145H174ClF15N16O7 and a molecular weight of 2573.51 g/mol. Its IUPAC name is 1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-N-(3-chlorophenyl)piperidin-4-amine;3-[5-[(4-ethylpiperidin-1-yl)methyl]-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(morpholin-4-ylmethyl)indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(piperidin-1-ylmethyl)indol-1-yl]propan-1-amine.

Molecular Properties

• Compound Name: 1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-N-(3-chlorophenyl)piperidin-4-amine;3-[5-[(4-ethylpiperidin-1-yl)methyl]-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(morpholin-4-ylmethyl)indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(piperidin-1-ylmethyl)indol-1-yl]propan-1-amine
• PubChem CID: 159706244
• Molecular Formula: C145H174ClF15N16O7
• Molecular Weight: 2573.51 g/mol
• Exact Mass: 2571.32
• IUPAC Name: 1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-N-(3-chlorophenyl)piperidin-4-amine;3-[5-[(4-ethylpiperidin-1-yl)methyl]-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(morpholin-4-ylmethyl)indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(piperidin-1-ylmethyl)indol-1-yl]propan-1-amine
• SMILES: CCc1cc(OC(F)(F)F)ccc1-c1cn(CCCN)c2ccc(CN3CCC(CC)CC3)cc12.CCc1cc(OC(F)(F)F)ccc1-c1cn(CCCN)c2ccc(CN3CCC(Cc4cccc(OC)c4)CC3)cc12.CCc1cc(OC(F)(F)F)ccc1-c1cn(CCCN)c2ccc(CN3CCC(Nc4cccc(Cl)c4)CC3)cc12.CCc1cc(OC(F)(F)F)ccc1-c1cn(CCCN)c2ccc(CN3CCCCC3)cc12.CCc1cc(OC(F)(F)F)ccc1-c1cn(CCCN)c2ccc(CN3CCOCC3)cc12
• InChI: InChI=1S/C34H40F3N3O2.C32H36ClF3N4O.C28H36F3N3O.C26H32F3N3O.C25H30F3N3O2/c1-3-27-21-29(42-34(35,36)37)9-10-30(27)32-23-40(15-5-14-38)33-11-8-26(20-31(32)33)22-39-16-12-24(13-17-39)18-25-6-4-7-28(19-25)41-2;1-2-23-18-27(41-32(34,35)36)8-9-28(23)30-21-40(14-4-13-37)31-10-7-22(17-29(30)31)20-39-15-11-25(12-16-39)38-26-6-3-5-24(33)19-26;1-3-20-10-14-33(15-11-20)18-21-6-9-27-25(16-21)26(19-34(27)13-5-12-32)24-8-7-23(17-22(24)4-2)35-28(29,30)31;1-2-20-16-21(33-26(27,28)29)8-9-22(20)24-18-32(14-6-11-30)25-10-7-19(15-23(24)25)17-31-12-4-3-5-13-31;1-2-19-15-20(33-25(26,27)28)5-6-21(19)23-17-31(9-3-8-29)24-7-4-18(14-22(23)24)16-30-10-12-32-13-11-30/h4,6-11,19-21,23-24H,3,5,12-18,22,38H2,1-2H3;3,5-10,17-19,21,25,38H,2,4,11-16,20,37H2,1H3;6-9,16-17,19-20H,3-5,10-15,18,32H2,1-2H3;7-10,15-16,18H,2-6,11-14,17,30H2,1H3;4-7,14-15,17H,2-3,8-13,16,29H2,1H3
• InChIKey: MYGCUYNXGVJFRB-UHFFFAOYSA-N
• XLogP: 33.22
• TPSA: 247.59 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 23
• Rotatable Bonds: 46
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2573.51
LogP ≤ 5	33.22
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-N-(3-chlorophenyl)piperidin-4-amine;3-[5-[(4-ethylpiperidin-1-yl)methyl]-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(morpholin-4-ylmethyl)indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(piperidin-1-ylmethyl)indol-1-yl]propan-1-amine?

The IUPAC name of 1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-N-(3-chlorophenyl)piperidin-4-amine;3-[5-[(4-ethylpiperidin-1-yl)methyl]-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(morpholin-4-ylmethyl)indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(piperidin-1-ylmethyl)indol-1-yl]propan-1-amine (CID 159706244) is 1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-N-(3-chlorophenyl)piperidin-4-amine;3-[5-[(4-ethylpiperidin-1-yl)methyl]-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(morpholin-4-ylmethyl)indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(piperidin-1-ylmethyl)indol-1-yl]propan-1-amine.

What is the SMILES notation for 1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-N-(3-chlorophenyl)piperidin-4-amine;3-[5-[(4-ethylpiperidin-1-yl)methyl]-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(morpholin-4-ylmethyl)indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(piperidin-1-ylmethyl)indol-1-yl]propan-1-amine?

The canonical SMILES for 1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-N-(3-chlorophenyl)piperidin-4-amine;3-[5-[(4-ethylpiperidin-1-yl)methyl]-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(morpholin-4-ylmethyl)indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(piperidin-1-ylmethyl)indol-1-yl]propan-1-amine is CCc1cc(OC(F)(F)F)ccc1-c1cn(CCCN)c2ccc(CN3CCC(CC)CC3)cc12.CCc1cc(OC(F)(F)F)ccc1-c1cn(CCCN)c2ccc(CN3CCC(Cc4cccc(OC)c4)CC3)cc12.CCc1cc(OC(F)(F)F)ccc1-c1cn(CCCN)c2ccc(CN3CCC(Nc4cccc(Cl)c4)CC3)cc12.CCc1cc(OC(F)(F)F)ccc1-c1cn(CCCN)c2ccc(CN3CCCCC3)cc12.CCc1cc(OC(F)(F)F)ccc1-c1cn(CCCN)c2ccc(CN3CCOCC3)cc12.

What is the InChIKey of 1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-N-(3-chlorophenyl)piperidin-4-amine;3-[5-[(4-ethylpiperidin-1-yl)methyl]-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(morpholin-4-ylmethyl)indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(piperidin-1-ylmethyl)indol-1-yl]propan-1-amine?

The InChIKey is MYGCUYNXGVJFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40F3N3O2.C32H36ClF3N4O.C28H36F3N3O.C26H32F3N3O.C25H30F3N3O2/c1-3-27-21-29(42-34(35,36)37)9-10-30(27)32-23-40(15-5-14-38)33-11-8-26(20-31(32)33)22-39-16-12-24(13-17-39)18-25-6-4-7-28(19-25)41-2;1-2-23-18-27(41-32(34,35)36)8-9-28(23)30-21-40(14-4-13-37)31-10-7-22(17-29(30)31)20-39-15-11-25(12-16-39)38-26-6-3-5-24(33)19-26;1-3-20-10-14-33(15-11-20)18-21-6-9-27-25(16-21)26(19-34(27)13-5-12-32)24-8-7-23(17-22(24)4-2)35-28(29,30)31;1-2-20-16-21(33-26(27,28)29)8-9-22(20)24-18-32(14-6-11-30)25-10-7-19(15-23(24)25)17-31-12-4-3-5-13-31;1-2-19-15-20(33-25(26,27)28)5-6-21(19)23-17-31(9-3-8-29)24-7-4-18(14-22(23)24)16-30-10-12-32-13-11-30/h4,6-11,19-21,23-24H,3,5,12-18,22,38H2,1-2H3;3,5-10,17-19,21,25,38H,2,4,11-16,20,37H2,1H3;6-9,16-17,19-20H,3-5,10-15,18,32H2,1-2H3;7-10,15-16,18H,2-6,11-14,17,30H2,1H3;4-7,14-15,17H,2-3,8-13,16,29H2,1H3.

What are the key properties of 1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-N-(3-chlorophenyl)piperidin-4-amine;3-[5-[(4-ethylpiperidin-1-yl)methyl]-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(morpholin-4-ylmethyl)indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(piperidin-1-ylmethyl)indol-1-yl]propan-1-amine?

1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-N-(3-chlorophenyl)piperidin-4-amine;3-[5-[(4-ethylpiperidin-1-yl)methyl]-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(morpholin-4-ylmethyl)indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(piperidin-1-ylmethyl)indol-1-yl]propan-1-amine has a molecular weight of 2573.51 g/mol, XLogP of 33.22, 46 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-N-(3-chlorophenyl)piperidin-4-amine;3-[5-[(4-ethylpiperidin-1-yl)methyl]-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(morpholin-4-ylmethyl)indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(piperidin-1-ylmethyl)indol-1-yl]propan-1-amine is sourced from PubChem (CID 159706244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).