1-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]-2-(3-propan-2-ylphenyl)-3,4-dihydroisoquinolin-6-ol

C32H40N2O2 — CID 10917876

About 1-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]-2-(3-propan-2-ylphenyl)-3,4-dihydroisoquinolin-6-ol

1-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]-2-(3-propan-2-ylphenyl)-3,4-dihydroisoquinolin-6-ol (PubChem CID 10917876) has the molecular formula C32H40N2O2 and a molecular weight of 484.68 g/mol. Its IUPAC name is 1-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]-2-(3-propan-2-ylphenyl)-3,4-dihydroisoquinolin-6-ol.

Molecular Properties

• Compound Name: 1-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]-2-(3-propan-2-ylphenyl)-3,4-dihydroisoquinolin-6-ol
• PubChem CID: 10917876
• Molecular Formula: C32H40N2O2
• Molecular Weight: 484.68 g/mol
• Exact Mass: 484.31
• IUPAC Name: 1-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]-2-(3-propan-2-ylphenyl)-3,4-dihydroisoquinolin-6-ol
• SMILES: CC(C)c1cccc(N2CCc3cc(O)ccc3C2(C)c2ccc(OCCN3CCCCC3)cc2)c1
• InChI: InChI=1S/C32H40N2O2/c1-24(2)25-8-7-9-28(22-25)34-19-16-26-23-29(35)12-15-31(26)32(34,3)27-10-13-30(14-11-27)36-21-20-33-17-5-4-6-18-33/h7-15,22-24,35H,4-6,16-21H2,1-3H3
• InChIKey: FZFDZCOFXXVCFT-UHFFFAOYSA-N
• XLogP: 6.71
• TPSA: 35.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.68
LogP ≤ 5	6.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]-2-(3-propan-2-ylphenyl)-3,4-dihydroisoquinolin-6-ol?

The IUPAC name of 1-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]-2-(3-propan-2-ylphenyl)-3,4-dihydroisoquinolin-6-ol (CID 10917876) is 1-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]-2-(3-propan-2-ylphenyl)-3,4-dihydroisoquinolin-6-ol.

What is the SMILES notation for 1-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]-2-(3-propan-2-ylphenyl)-3,4-dihydroisoquinolin-6-ol?

The canonical SMILES for 1-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]-2-(3-propan-2-ylphenyl)-3,4-dihydroisoquinolin-6-ol is CC(C)c1cccc(N2CCc3cc(O)ccc3C2(C)c2ccc(OCCN3CCCCC3)cc2)c1.

What is the InChIKey of 1-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]-2-(3-propan-2-ylphenyl)-3,4-dihydroisoquinolin-6-ol?

The InChIKey is FZFDZCOFXXVCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40N2O2/c1-24(2)25-8-7-9-28(22-25)34-19-16-26-23-29(35)12-15-31(26)32(34,3)27-10-13-30(14-11-27)36-21-20-33-17-5-4-6-18-33/h7-15,22-24,35H,4-6,16-21H2,1-3H3.

What are the key properties of 1-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]-2-(3-propan-2-ylphenyl)-3,4-dihydroisoquinolin-6-ol?

1-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]-2-(3-propan-2-ylphenyl)-3,4-dihydroisoquinolin-6-ol has a molecular weight of 484.68 g/mol, XLogP of 6.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]-2-(3-propan-2-ylphenyl)-3,4-dihydroisoquinolin-6-ol is sourced from PubChem (CID 10917876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).