1-[[4-(4-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-3-piperidin-1-ylpropan-2-ol

C25H34N2O3 — CID 57447785

IUPAC1-[[4-(4-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-3-piperidin-1-ylpropan-2-ol
SMILESCOc1ccc(C2CN(C)Cc3cc(OCC(O)CN4CCCCC4)ccc32)cc1
InChIInChI=1S/C25H34N2O3/c1-26-15-20-14-23(30-18-21(28)16-27-12-4-3-5-13-27)10-11-24(20)25(17-26)19-6-8-22(29-2)9-7-19/h6-11,14,21,25,28H,3-5,12-13,15-18H2,1-2H3
InChIKeyYYNIKOAKEXNXQA-UHFFFAOYSA-N
MW410.56 g/mol
LogP3.50
Rot. Bonds7

About 1-[[4-(4-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-3-piperidin-1-ylpropan-2-ol

1-[[4-(4-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-3-piperidin-1-ylpropan-2-ol (PubChem CID 57447785) has the molecular formula C25H34N2O3 and a molecular weight of 410.56 g/mol. Its IUPAC name is 1-[[4-(4-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-3-piperidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[[4-(4-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-3-piperidin-1-ylpropan-2-ol
PubChem CID57447785
Molecular FormulaC25H34N2O3
Molecular Weight410.56 g/mol
Exact Mass410.26
IUPAC Name1-[[4-(4-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-3-piperidin-1-ylpropan-2-ol
SMILESCOc1ccc(C2CN(C)Cc3cc(OCC(O)CN4CCCCC4)ccc32)cc1
InChIInChI=1S/C25H34N2O3/c1-26-15-20-14-23(30-18-21(28)16-27-12-4-3-5-13-27)10-11-24(20)25(17-26)19-6-8-22(29-2)9-7-19/h6-11,14,21,25,28H,3-5,12-13,15-18H2,1-2H3
InChIKeyYYNIKOAKEXNXQA-UHFFFAOYSA-N
XLogP3.50
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[[4-(4-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-3-piperidin-1-ylpropan-2-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-(4-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-3-piperidin-1-ylpropan-2-ol?
The IUPAC name of 1-[[4-(4-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-3-piperidin-1-ylpropan-2-ol (CID 57447785) is 1-[[4-(4-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-3-piperidin-1-ylpropan-2-ol.
What is the SMILES notation for 1-[[4-(4-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-3-piperidin-1-ylpropan-2-ol?
The canonical SMILES for 1-[[4-(4-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-3-piperidin-1-ylpropan-2-ol is COc1ccc(C2CN(C)Cc3cc(OCC(O)CN4CCCCC4)ccc32)cc1.
What is the InChIKey of 1-[[4-(4-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-3-piperidin-1-ylpropan-2-ol?
The InChIKey is YYNIKOAKEXNXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O3/c1-26-15-20-14-23(30-18-21(28)16-27-12-4-3-5-13-27)10-11-24(20)25(17-26)19-6-8-22(29-2)9-7-19/h6-11,14,21,25,28H,3-5,12-13,15-18H2,1-2H3.
What are the key properties of 1-[[4-(4-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-3-piperidin-1-ylpropan-2-ol?
1-[[4-(4-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-3-piperidin-1-ylpropan-2-ol has a molecular weight of 410.56 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(4-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-3-piperidin-1-ylpropan-2-ol is sourced from PubChem (CID 57447785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).