1-[(1-ethylpiperidin-4-yl)methylamino]isoquinolin-7-ol

C17H23N3O — CID 106538187

IUPAC1-[(1-ethylpiperidin-4-yl)methylamino]isoquinolin-7-ol
SMILESCCN1CCC(CNc2nccc3ccc(O)cc23)CC1
InChIInChI=1S/C17H23N3O/c1-2-20-9-6-13(7-10-20)12-19-17-16-11-15(21)4-3-14(16)5-8-18-17/h3-5,8,11,13,21H,2,6-7,9-10,12H2,1H3,(H,18,19)
InChIKeyLJNMCFMYPIQLGM-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.08
Rot. Bonds4

About 1-[(1-ethylpiperidin-4-yl)methylamino]isoquinolin-7-ol

1-[(1-ethylpiperidin-4-yl)methylamino]isoquinolin-7-ol (PubChem CID 106538187) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-[(1-ethylpiperidin-4-yl)methylamino]isoquinolin-7-ol.

Molecular Properties

Compound Name1-[(1-ethylpiperidin-4-yl)methylamino]isoquinolin-7-ol
PubChem CID106538187
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1-[(1-ethylpiperidin-4-yl)methylamino]isoquinolin-7-ol
SMILESCCN1CCC(CNc2nccc3ccc(O)cc23)CC1
InChIInChI=1S/C17H23N3O/c1-2-20-9-6-13(7-10-20)12-19-17-16-11-15(21)4-3-14(16)5-8-18-17/h3-5,8,11,13,21H,2,6-7,9-10,12H2,1H3,(H,18,19)
InChIKeyLJNMCFMYPIQLGM-UHFFFAOYSA-N
XLogP3.08
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-ethylpyrrolidin-2-yl)methylamino]isoquinolin-7-ol
CID 106537369
1-(oxan-3-ylmethylamino)isoquinolin-7-ol
CID 106537797
1-[[2-(chloromethyl)cyclopentyl]methylamino]isoquinolin-7-ol
CID 106542785
1-[(2-chlorocyclopentyl)methylamino]isoquinolin-7-ol
CID 106542779
1-[2-(azepan-1-yl)ethylamino]isoquinolin-7-ol
CID 106537916
N-(cyclopentylmethyl)-7-methoxyisoquinolin-1-amine
CID 106537491
6-[[(1-ethylpiperidin-4-yl)methylamino]methyl]pyridin-3-ol
CID 79783467
1-(8-azabicyclo[3.2.1]octan-3-ylamino)isoquinolin-7-ol
CID 106540413
methyl 2-[(1-ethylpyrrolidin-3-yl)methylamino]pyridine-3-carboxylate
CID 62000868
1-(2,2-dimethylhydrazinyl)isoquinolin-7-ol
CID 106539287
1-[[1-(aminomethyl)cyclopropyl]methylamino]isoquinolin-7-ol
CID 106543493
1-[(1-amino-2-methylbutan-2-yl)amino]isoquinolin-7-ol
CID 106543374

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpiperidin-4-yl)methylamino]isoquinolin-7-ol?
The IUPAC name of 1-[(1-ethylpiperidin-4-yl)methylamino]isoquinolin-7-ol (CID 106538187) is 1-[(1-ethylpiperidin-4-yl)methylamino]isoquinolin-7-ol.
What is the SMILES notation for 1-[(1-ethylpiperidin-4-yl)methylamino]isoquinolin-7-ol?
The canonical SMILES for 1-[(1-ethylpiperidin-4-yl)methylamino]isoquinolin-7-ol is CCN1CCC(CNc2nccc3ccc(O)cc23)CC1.
What is the InChIKey of 1-[(1-ethylpiperidin-4-yl)methylamino]isoquinolin-7-ol?
The InChIKey is LJNMCFMYPIQLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-2-20-9-6-13(7-10-20)12-19-17-16-11-15(21)4-3-14(16)5-8-18-17/h3-5,8,11,13,21H,2,6-7,9-10,12H2,1H3,(H,18,19).
What are the key properties of 1-[(1-ethylpiperidin-4-yl)methylamino]isoquinolin-7-ol?
1-[(1-ethylpiperidin-4-yl)methylamino]isoquinolin-7-ol has a molecular weight of 285.39 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpiperidin-4-yl)methylamino]isoquinolin-7-ol is sourced from PubChem (CID 106538187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).