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

C29H34N2O3 — CID 10939453

IUPAC2-(3-hydroxyphenyl)-1-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]-3,4-dihydroisoquinolin-6-ol
SMILESCC1(c2ccc(OCCN3CCCCC3)cc2)c2ccc(O)cc2CCN1c1cccc(O)c1
InChIInChI=1S/C29H34N2O3/c1-29(23-8-11-27(12-9-23)34-19-18-30-15-3-2-4-16-30)28-13-10-26(33)20-22(28)14-17-31(29)24-6-5-7-25(32)21-24/h5-13,20-21,32-33H,2-4,14-19H2,1H3
InChIKeyUWLIBOKLGCNWFW-UHFFFAOYSA-N
MW458.60 g/mol
LogP5.29
Rot. Bonds6

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

2-(3-hydroxyphenyl)-1-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]-3,4-dihydroisoquinolin-6-ol (PubChem CID 10939453) has the molecular formula C29H34N2O3 and a molecular weight of 458.60 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)-1-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]-3,4-dihydroisoquinolin-6-ol.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)-1-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]-3,4-dihydroisoquinolin-6-ol
PubChem CID10939453
Molecular FormulaC29H34N2O3
Molecular Weight458.60 g/mol
Exact Mass458.26
IUPAC Name2-(3-hydroxyphenyl)-1-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]-3,4-dihydroisoquinolin-6-ol
SMILESCC1(c2ccc(OCCN3CCCCC3)cc2)c2ccc(O)cc2CCN1c1cccc(O)c1
InChIInChI=1S/C29H34N2O3/c1-29(23-8-11-27(12-9-23)34-19-18-30-15-3-2-4-16-30)28-13-10-26(33)20-22(28)14-17-31(29)24-6-5-7-25(32)21-24/h5-13,20-21,32-33H,2-4,14-19H2,1H3
InChIKeyUWLIBOKLGCNWFW-UHFFFAOYSA-N
XLogP5.29
TPSA56.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.60
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(3-hydroxyphenyl)-1-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]-3,4-dihydroisoquinolin-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

Related Compounds

1-methyl-2-(3-propan-2-ylphenyl)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydroisoquinolin-6-ol
CID 10906792
4-(1-methyl-2-phenyl-6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)phenol
CID 10982720
2-fluoro-1-[(1S)-1-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-1-methyl-3,4-dihydroisoquinolin-2-yl]-2-methylpropan-1-one
CID 134502034
(1R,3'S)-3'-[4-(2-piperidin-1-ylethoxy)phenyl]-1,1'-spirobi[2,3-dihydroindene]-5,5'-diol
CID 10434170
1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-2-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-6-ol
CID 12070072
2-[9-[4-(2-piperidin-1-ylethoxy)phenyl]fluoren-9-yl]phenol
CID 174662801
acetylene;3-[2-hydroxyethyl-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]amino]phenol;5,6,7,8-tetrahydronaphthalen-2-ol
CID 142915185
4-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]benzene-1,3-diol
CID 173275765
6-methoxy-1-methyl-2-(4-methylphenyl)-1-(4-phenylmethoxyphenyl)-3,4-dihydroisoquinoline
CID 11123214
(5S,6R)-6-(4-hydroxyphenyl)-5-[4-(2-piperidin-1-ylethoxy)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 22865212
N-[3-[2-methyl-6-(2-piperidin-1-ylethoxy)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]phenyl]methanesulfonamide
CID 70999165
cyclohexyl-[6-hydroxy-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 18172467

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)-1-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]-3,4-dihydroisoquinolin-6-ol?
The IUPAC name of 2-(3-hydroxyphenyl)-1-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]-3,4-dihydroisoquinolin-6-ol (CID 10939453) is 2-(3-hydroxyphenyl)-1-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]-3,4-dihydroisoquinolin-6-ol.
What is the SMILES notation for 2-(3-hydroxyphenyl)-1-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]-3,4-dihydroisoquinolin-6-ol?
The canonical SMILES for 2-(3-hydroxyphenyl)-1-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]-3,4-dihydroisoquinolin-6-ol is CC1(c2ccc(OCCN3CCCCC3)cc2)c2ccc(O)cc2CCN1c1cccc(O)c1.
What is the InChIKey of 2-(3-hydroxyphenyl)-1-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]-3,4-dihydroisoquinolin-6-ol?
The InChIKey is UWLIBOKLGCNWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N2O3/c1-29(23-8-11-27(12-9-23)34-19-18-30-15-3-2-4-16-30)28-13-10-26(33)20-22(28)14-17-31(29)24-6-5-7-25(32)21-24/h5-13,20-21,32-33H,2-4,14-19H2,1H3.
What are the key properties of 2-(3-hydroxyphenyl)-1-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]-3,4-dihydroisoquinolin-6-ol?
2-(3-hydroxyphenyl)-1-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]-3,4-dihydroisoquinolin-6-ol has a molecular weight of 458.60 g/mol, XLogP of 5.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)-1-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]-3,4-dihydroisoquinolin-6-ol is sourced from PubChem (CID 10939453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).