1-[4-[[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenyl]methyl]phenyl]ethanol;2-[4-[4-methyl-6-(2-methyl-4-phenoxyanilino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-[4-phenoxy-3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol

C71H85F3N18O6 — CID 123202544

About 1-[4-[[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenyl]methyl]phenyl]ethanol;2-[4-[4-methyl-6-(2-methyl-4-phenoxyanilino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-[4-phenoxy-3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol

1-[4-[[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenyl]methyl]phenyl]ethanol;2-[4-[4-methyl-6-(2-methyl-4-phenoxyanilino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-[4-phenoxy-3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol (PubChem CID 123202544) has the molecular formula C71H85F3N18O6 and a molecular weight of 1343.57 g/mol. Its IUPAC name is 1-[4-[[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenyl]methyl]phenyl]ethanol;2-[4-[4-methyl-6-(2-methyl-4-phenoxyanilino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-[4-phenoxy-3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol.

Molecular Properties

• Compound Name: 1-[4-[[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenyl]methyl]phenyl]ethanol;2-[4-[4-methyl-6-(2-methyl-4-phenoxyanilino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-[4-phenoxy-3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol
• PubChem CID: 123202544
• Molecular Formula: C71H85F3N18O6
• Molecular Weight: 1343.57 g/mol
• Exact Mass: 1342.69
• IUPAC Name: 1-[4-[[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenyl]methyl]phenyl]ethanol;2-[4-[4-methyl-6-(2-methyl-4-phenoxyanilino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-[4-phenoxy-3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol
• SMILES: Cc1nc(Nc2ccc(Cc3ccc(C(C)O)cc3)cc2)nc(N2CCN(CCO)CC2)n1.Cc1nc(Nc2ccc(Oc3ccccc3)c(C(F)(F)F)c2)nc(N2CCN(CCO)CC2)n1.Cc1nc(Nc2ccc(Oc3ccccc3)cc2C)nc(N2CCN(CCO)CC2)n1
• InChI: InChI=1S/C25H32N6O2.C23H25F3N6O2.C23H28N6O2/c1-18(33)22-7-3-20(4-8-22)17-21-5-9-23(10-6-21)28-24-26-19(2)27-25(29-24)31-13-11-30(12-14-31)15-16-32;1-16-27-21(30-22(28-16)32-11-9-31(10-12-32)13-14-33)29-17-7-8-20(19(15-17)23(24,25)26)34-18-5-3-2-4-6-18;1-17-16-20(31-19-6-4-3-5-7-19)8-9-21(17)26-22-24-18(2)25-23(27-22)29-12-10-28(11-13-29)14-15-30/h3-10,18,32-33H,11-17H2,1-2H3,(H,26,27,28,29);2-8,15,33H,9-14H2,1H3,(H,27,28,29,30);3-9,16,30H,10-15H2,1-2H3,(H,24,25,26,27)
• InChIKey: DEOALLYWZXDTJH-UHFFFAOYSA-N
• XLogP: 9.67
• TPSA: 270.92 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 24
• Rotatable Bonds: 22
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1343.57
LogP ≤ 5	9.67
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenyl]methyl]phenyl]ethanol;2-[4-[4-methyl-6-(2-methyl-4-phenoxyanilino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-[4-phenoxy-3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol?

The IUPAC name of 1-[4-[[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenyl]methyl]phenyl]ethanol;2-[4-[4-methyl-6-(2-methyl-4-phenoxyanilino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-[4-phenoxy-3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol (CID 123202544) is 1-[4-[[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenyl]methyl]phenyl]ethanol;2-[4-[4-methyl-6-(2-methyl-4-phenoxyanilino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-[4-phenoxy-3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol.

What is the SMILES notation for 1-[4-[[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenyl]methyl]phenyl]ethanol;2-[4-[4-methyl-6-(2-methyl-4-phenoxyanilino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-[4-phenoxy-3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol?

The canonical SMILES for 1-[4-[[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenyl]methyl]phenyl]ethanol;2-[4-[4-methyl-6-(2-methyl-4-phenoxyanilino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-[4-phenoxy-3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol is Cc1nc(Nc2ccc(Cc3ccc(C(C)O)cc3)cc2)nc(N2CCN(CCO)CC2)n1.Cc1nc(Nc2ccc(Oc3ccccc3)c(C(F)(F)F)c2)nc(N2CCN(CCO)CC2)n1.Cc1nc(Nc2ccc(Oc3ccccc3)cc2C)nc(N2CCN(CCO)CC2)n1.

What is the InChIKey of 1-[4-[[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenyl]methyl]phenyl]ethanol;2-[4-[4-methyl-6-(2-methyl-4-phenoxyanilino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-[4-phenoxy-3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol?

The InChIKey is DEOALLYWZXDTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O2.C23H25F3N6O2.C23H28N6O2/c1-18(33)22-7-3-20(4-8-22)17-21-5-9-23(10-6-21)28-24-26-19(2)27-25(29-24)31-13-11-30(12-14-31)15-16-32;1-16-27-21(30-22(28-16)32-11-9-31(10-12-32)13-14-33)29-17-7-8-20(19(15-17)23(24,25)26)34-18-5-3-2-4-6-18;1-17-16-20(31-19-6-4-3-5-7-19)8-9-21(17)26-22-24-18(2)25-23(27-22)29-12-10-28(11-13-29)14-15-30/h3-10,18,32-33H,11-17H2,1-2H3,(H,26,27,28,29);2-8,15,33H,9-14H2,1H3,(H,27,28,29,30);3-9,16,30H,10-15H2,1-2H3,(H,24,25,26,27).

What are the key properties of 1-[4-[[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenyl]methyl]phenyl]ethanol;2-[4-[4-methyl-6-(2-methyl-4-phenoxyanilino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-[4-phenoxy-3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol?

1-[4-[[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenyl]methyl]phenyl]ethanol;2-[4-[4-methyl-6-(2-methyl-4-phenoxyanilino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-[4-phenoxy-3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol has a molecular weight of 1343.57 g/mol, XLogP of 9.67, 22 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenyl]methyl]phenyl]ethanol;2-[4-[4-methyl-6-(2-methyl-4-phenoxyanilino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-[4-phenoxy-3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 123202544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).