7-methyl-5-[(1-methylpiperidin-4-yl)methoxy]-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol

C24H27F3N2O3 — CID 90928115

About 7-methyl-5-[(1-methylpiperidin-4-yl)methoxy]-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol

7-methyl-5-[(1-methylpiperidin-4-yl)methoxy]-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol (PubChem CID 90928115) has the molecular formula C24H27F3N2O3 and a molecular weight of 448.49 g/mol. Its IUPAC name is 7-methyl-5-[(1-methylpiperidin-4-yl)methoxy]-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol.

Molecular Properties

• Compound Name: 7-methyl-5-[(1-methylpiperidin-4-yl)methoxy]-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
• PubChem CID: 90928115
• Molecular Formula: C24H27F3N2O3
• Molecular Weight: 448.49 g/mol
• Exact Mass: 448.20
• IUPAC Name: 7-methyl-5-[(1-methylpiperidin-4-yl)methoxy]-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
• SMILES: Cc1cc(OCC2CCN(C)CC2)cc2cn(Cc3ccc(OC(F)(F)F)cc3)c(O)c12
• InChI: InChI=1S/C24H27F3N2O3/c1-16-11-21(31-15-18-7-9-28(2)10-8-18)12-19-14-29(23(30)22(16)19)13-17-3-5-20(6-4-17)32-24(25,26)27/h3-6,11-12,14,18,30H,7-10,13,15H2,1-2H3
• InChIKey: ZPFHKZNRUOOCLH-UHFFFAOYSA-N
• XLogP: 5.32
• TPSA: 46.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	448.49
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-[(1-methylpiperidin-4-yl)methoxy]-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol?

The IUPAC name of 7-methyl-5-[(1-methylpiperidin-4-yl)methoxy]-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol (CID 90928115) is 7-methyl-5-[(1-methylpiperidin-4-yl)methoxy]-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol.

What is the SMILES notation for 7-methyl-5-[(1-methylpiperidin-4-yl)methoxy]-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol?

The canonical SMILES for 7-methyl-5-[(1-methylpiperidin-4-yl)methoxy]-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol is Cc1cc(OCC2CCN(C)CC2)cc2cn(Cc3ccc(OC(F)(F)F)cc3)c(O)c12.

What is the InChIKey of 7-methyl-5-[(1-methylpiperidin-4-yl)methoxy]-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol?

The InChIKey is ZPFHKZNRUOOCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N2O3/c1-16-11-21(31-15-18-7-9-28(2)10-8-18)12-19-14-29(23(30)22(16)19)13-17-3-5-20(6-4-17)32-24(25,26)27/h3-6,11-12,14,18,30H,7-10,13,15H2,1-2H3.

What are the key properties of 7-methyl-5-[(1-methylpiperidin-4-yl)methoxy]-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol?

7-methyl-5-[(1-methylpiperidin-4-yl)methoxy]-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol has a molecular weight of 448.49 g/mol, XLogP of 5.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-methyl-5-[(1-methylpiperidin-4-yl)methoxy]-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol is sourced from PubChem (CID 90928115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).