(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone

C19H25F3N2O4 — CID 87002268

IUPAC(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone
SMILESCOc1ccc(OC)c2c1CN(C(=O)C1CCN(CC(F)(F)F)CC1)CC2O
InChIInChI=1S/C19H25F3N2O4/c1-27-15-3-4-16(28-2)17-13(15)9-24(10-14(17)25)18(26)12-5-7-23(8-6-12)11-19(20,21)22/h3-4,12,14,25H,5-11H2,1-2H3
InChIKeyVYZOCJVSPKGNAC-UHFFFAOYSA-N
MW402.41 g/mol
LogP2.35
Rot. Bonds4

About (4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone

(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone (PubChem CID 87002268) has the molecular formula C19H25F3N2O4 and a molecular weight of 402.41 g/mol. Its IUPAC name is (4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone
PubChem CID87002268
Molecular FormulaC19H25F3N2O4
Molecular Weight402.41 g/mol
Exact Mass402.18
IUPAC Name(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone
SMILESCOc1ccc(OC)c2c1CN(C(=O)C1CCN(CC(F)(F)F)CC1)CC2O
InChIInChI=1S/C19H25F3N2O4/c1-27-15-3-4-16(28-2)17-13(15)9-24(10-14(17)25)18(26)12-5-7-23(8-6-12)11-19(20,21)22/h3-4,12,14,25H,5-11H2,1-2H3
InChIKeyVYZOCJVSPKGNAC-UHFFFAOYSA-N
XLogP2.35
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.41
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone 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

(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-2-ylmethanone;hydrochloride
CID 119273685
2-amino-1-(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pentan-1-one
CID 119273712
4-hydroxy-5,8-dimethoxy-N-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 42883609
2-(4-aminophenyl)-1-(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 119694098
4-amino-1-(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pentan-1-one
CID 120559396
2-amino-1-(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-methylpentan-1-one
CID 119694134
(4R)-N-[(4-fluorophenyl)methyl]-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 38197638
(5-fluoro-3-pyridinyl)-[(4S)-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 124883736
(4-aminophenyl)-(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone;hydrochloride
CID 119694107
1-(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-(methylamino)propan-1-one;hydrochloride
CID 119694123
2-(4-aminophenyl)-1-(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone;hydrochloride
CID 119694097
(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[4-(2-methylpropyl)phenyl]methanone
CID 86912836

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone?
The IUPAC name of (4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone (CID 87002268) is (4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone.
What is the SMILES notation for (4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone?
The canonical SMILES for (4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone is COc1ccc(OC)c2c1CN(C(=O)C1CCN(CC(F)(F)F)CC1)CC2O.
What is the InChIKey of (4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone?
The InChIKey is VYZOCJVSPKGNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N2O4/c1-27-15-3-4-16(28-2)17-13(15)9-24(10-14(17)25)18(26)12-5-7-23(8-6-12)11-19(20,21)22/h3-4,12,14,25H,5-11H2,1-2H3.
What are the key properties of (4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone?
(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone has a molecular weight of 402.41 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone is sourced from PubChem (CID 87002268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).