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

C32H40N2O2 — CID 11730602

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

1-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]-2-(4-propan-2-ylphenyl)-3,4-dihydroisoquinolin-6-ol (PubChem CID 11730602) 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-(4-propan-2-ylphenyl)-3,4-dihydroisoquinolin-6-ol.

Molecular Properties

• Compound Name: 1-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]-2-(4-propan-2-ylphenyl)-3,4-dihydroisoquinolin-6-ol
• PubChem CID: 11730602
• 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-(4-propan-2-ylphenyl)-3,4-dihydroisoquinolin-6-ol
• SMILES: CC(C)c1ccc(N2CCc3cc(O)ccc3C2(C)c2ccc(OCCN3CCCCC3)cc2)cc1
• InChI: InChI=1S/C32H40N2O2/c1-24(2)25-7-11-28(12-8-25)34-20-17-26-23-29(35)13-16-31(26)32(34,3)27-9-14-30(15-10-27)36-22-21-33-18-5-4-6-19-33/h7-16,23-24,35H,4-6,17-22H2,1-3H3
• InChIKey: DKSQEJYZOQNOID-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-(4-propan-2-ylphenyl)-3,4-dihydroisoquinolin-6-ol?

The IUPAC name of 1-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]-2-(4-propan-2-ylphenyl)-3,4-dihydroisoquinolin-6-ol (CID 11730602) is 1-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]-2-(4-propan-2-ylphenyl)-3,4-dihydroisoquinolin-6-ol.

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

The canonical SMILES for 1-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]-2-(4-propan-2-ylphenyl)-3,4-dihydroisoquinolin-6-ol is CC(C)c1ccc(N2CCc3cc(O)ccc3C2(C)c2ccc(OCCN3CCCCC3)cc2)cc1.

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

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

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

1-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]-2-(4-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-(4-propan-2-ylphenyl)-3,4-dihydroisoquinolin-6-ol is sourced from PubChem (CID 11730602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).