1-[4-(1-methylpiperidin-4-yl)phenyl]-2-phenyl-3,4-dihydro-1H-isoquinolin-6-ol

C27H30N2O — CID 11361524

IUPAC1-[4-(1-methylpiperidin-4-yl)phenyl]-2-phenyl-3,4-dihydro-1H-isoquinolin-6-ol
SMILESCN1CCC(c2ccc(C3c4ccc(O)cc4CCN3c3ccccc3)cc2)CC1
InChIInChI=1S/C27H30N2O/c1-28-16-13-21(14-17-28)20-7-9-22(10-8-20)27-26-12-11-25(30)19-23(26)15-18-29(27)24-5-3-2-4-6-24/h2-12,19,21,27,30H,13-18H2,1H3
InChIKeyNKJJSGYHJDTRAX-UHFFFAOYSA-N
MW398.55 g/mol
LogP5.35
Rot. Bonds3

About 1-[4-(1-methylpiperidin-4-yl)phenyl]-2-phenyl-3,4-dihydro-1H-isoquinolin-6-ol

1-[4-(1-methylpiperidin-4-yl)phenyl]-2-phenyl-3,4-dihydro-1H-isoquinolin-6-ol (PubChem CID 11361524) has the molecular formula C27H30N2O and a molecular weight of 398.55 g/mol. Its IUPAC name is 1-[4-(1-methylpiperidin-4-yl)phenyl]-2-phenyl-3,4-dihydro-1H-isoquinolin-6-ol.

Molecular Properties

Compound Name1-[4-(1-methylpiperidin-4-yl)phenyl]-2-phenyl-3,4-dihydro-1H-isoquinolin-6-ol
PubChem CID11361524
Molecular FormulaC27H30N2O
Molecular Weight398.55 g/mol
Exact Mass398.24
IUPAC Name1-[4-(1-methylpiperidin-4-yl)phenyl]-2-phenyl-3,4-dihydro-1H-isoquinolin-6-ol
SMILESCN1CCC(c2ccc(C3c4ccc(O)cc4CCN3c3ccccc3)cc2)CC1
InChIInChI=1S/C27H30N2O/c1-28-16-13-21(14-17-28)20-7-9-22(10-8-20)27-26-12-11-25(30)19-23(26)15-18-29(27)24-5-3-2-4-6-24/h2-12,19,21,27,30H,13-18H2,1H3
InChIKeyNKJJSGYHJDTRAX-UHFFFAOYSA-N
XLogP5.35
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.55
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-(1-methylpiperidin-4-yl)phenyl]-2-phenyl-3,4-dihydro-1H-isoquinolin-6-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-methylpiperidin-4-yl)phenyl]-2-phenyl-3,4-dihydro-1H-isoquinolin-6-ol?
The IUPAC name of 1-[4-(1-methylpiperidin-4-yl)phenyl]-2-phenyl-3,4-dihydro-1H-isoquinolin-6-ol (CID 11361524) is 1-[4-(1-methylpiperidin-4-yl)phenyl]-2-phenyl-3,4-dihydro-1H-isoquinolin-6-ol.
What is the SMILES notation for 1-[4-(1-methylpiperidin-4-yl)phenyl]-2-phenyl-3,4-dihydro-1H-isoquinolin-6-ol?
The canonical SMILES for 1-[4-(1-methylpiperidin-4-yl)phenyl]-2-phenyl-3,4-dihydro-1H-isoquinolin-6-ol is CN1CCC(c2ccc(C3c4ccc(O)cc4CCN3c3ccccc3)cc2)CC1.
What is the InChIKey of 1-[4-(1-methylpiperidin-4-yl)phenyl]-2-phenyl-3,4-dihydro-1H-isoquinolin-6-ol?
The InChIKey is NKJJSGYHJDTRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O/c1-28-16-13-21(14-17-28)20-7-9-22(10-8-20)27-26-12-11-25(30)19-23(26)15-18-29(27)24-5-3-2-4-6-24/h2-12,19,21,27,30H,13-18H2,1H3.
What are the key properties of 1-[4-(1-methylpiperidin-4-yl)phenyl]-2-phenyl-3,4-dihydro-1H-isoquinolin-6-ol?
1-[4-(1-methylpiperidin-4-yl)phenyl]-2-phenyl-3,4-dihydro-1H-isoquinolin-6-ol has a molecular weight of 398.55 g/mol, XLogP of 5.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-methylpiperidin-4-yl)phenyl]-2-phenyl-3,4-dihydro-1H-isoquinolin-6-ol is sourced from PubChem (CID 11361524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).