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

C30H36N2O2 — CID 10928571

IUPAC1-methyl-2-(4-methylphenyl)-1-[4-(2-piperidin-1-ylethoxy)phenyl]-3,4-dihydroisoquinolin-6-ol
SMILESCc1ccc(N2CCc3cc(O)ccc3C2(C)c2ccc(OCCN3CCCCC3)cc2)cc1
InChIInChI=1S/C30H36N2O2/c1-23-6-10-26(11-7-23)32-19-16-24-22-27(33)12-15-29(24)30(32,2)25-8-13-28(14-9-25)34-21-20-31-17-4-3-5-18-31/h6-15,22,33H,3-5,16-21H2,1-2H3
InChIKeyOEUOOFPMSZOWIR-UHFFFAOYSA-N
MW456.63 g/mol
LogP5.89
Rot. Bonds6

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

1-methyl-2-(4-methylphenyl)-1-[4-(2-piperidin-1-ylethoxy)phenyl]-3,4-dihydroisoquinolin-6-ol (PubChem CID 10928571) has the molecular formula C30H36N2O2 and a molecular weight of 456.63 g/mol. Its IUPAC name is 1-methyl-2-(4-methylphenyl)-1-[4-(2-piperidin-1-ylethoxy)phenyl]-3,4-dihydroisoquinolin-6-ol.

Molecular Properties

Compound Name1-methyl-2-(4-methylphenyl)-1-[4-(2-piperidin-1-ylethoxy)phenyl]-3,4-dihydroisoquinolin-6-ol
PubChem CID10928571
Molecular FormulaC30H36N2O2
Molecular Weight456.63 g/mol
Exact Mass456.28
IUPAC Name1-methyl-2-(4-methylphenyl)-1-[4-(2-piperidin-1-ylethoxy)phenyl]-3,4-dihydroisoquinolin-6-ol
SMILESCc1ccc(N2CCc3cc(O)ccc3C2(C)c2ccc(OCCN3CCCCC3)cc2)cc1
InChIInChI=1S/C30H36N2O2/c1-23-6-10-26(11-7-23)32-19-16-24-22-27(33)12-15-29(24)30(32,2)25-8-13-28(14-9-25)34-21-20-31-17-4-3-5-18-31/h6-15,22,33H,3-5,16-21H2,1-2H3
InChIKeyOEUOOFPMSZOWIR-UHFFFAOYSA-N
XLogP5.89
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.63
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(4-methylphenyl)-1-[4-(2-piperidin-1-ylethoxy)phenyl]-3,4-dihydroisoquinolin-6-ol?
The IUPAC name of 1-methyl-2-(4-methylphenyl)-1-[4-(2-piperidin-1-ylethoxy)phenyl]-3,4-dihydroisoquinolin-6-ol (CID 10928571) is 1-methyl-2-(4-methylphenyl)-1-[4-(2-piperidin-1-ylethoxy)phenyl]-3,4-dihydroisoquinolin-6-ol.
What is the SMILES notation for 1-methyl-2-(4-methylphenyl)-1-[4-(2-piperidin-1-ylethoxy)phenyl]-3,4-dihydroisoquinolin-6-ol?
The canonical SMILES for 1-methyl-2-(4-methylphenyl)-1-[4-(2-piperidin-1-ylethoxy)phenyl]-3,4-dihydroisoquinolin-6-ol is Cc1ccc(N2CCc3cc(O)ccc3C2(C)c2ccc(OCCN3CCCCC3)cc2)cc1.
What is the InChIKey of 1-methyl-2-(4-methylphenyl)-1-[4-(2-piperidin-1-ylethoxy)phenyl]-3,4-dihydroisoquinolin-6-ol?
The InChIKey is OEUOOFPMSZOWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N2O2/c1-23-6-10-26(11-7-23)32-19-16-24-22-27(33)12-15-29(24)30(32,2)25-8-13-28(14-9-25)34-21-20-31-17-4-3-5-18-31/h6-15,22,33H,3-5,16-21H2,1-2H3.
What are the key properties of 1-methyl-2-(4-methylphenyl)-1-[4-(2-piperidin-1-ylethoxy)phenyl]-3,4-dihydroisoquinolin-6-ol?
1-methyl-2-(4-methylphenyl)-1-[4-(2-piperidin-1-ylethoxy)phenyl]-3,4-dihydroisoquinolin-6-ol has a molecular weight of 456.63 g/mol, XLogP of 5.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(4-methylphenyl)-1-[4-(2-piperidin-1-ylethoxy)phenyl]-3,4-dihydroisoquinolin-6-ol is sourced from PubChem (CID 10928571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).