3-ethyl-1-(5-methoxyisoquinolin-1-yl)piperidin-4-amine

C17H23N3O — CID 106540923

IUPAC3-ethyl-1-(5-methoxyisoquinolin-1-yl)piperidin-4-amine
SMILESCCC1CN(c2nccc3c(OC)cccc23)CCC1N
InChIInChI=1S/C17H23N3O/c1-3-12-11-20(10-8-15(12)18)17-14-5-4-6-16(21-2)13(14)7-9-19-17/h4-7,9,12,15H,3,8,10-11,18H2,1-2H3
InChIKeyVNGWTIAXFPPXJK-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.81
Rot. Bonds3

About 3-ethyl-1-(5-methoxyisoquinolin-1-yl)piperidin-4-amine

3-ethyl-1-(5-methoxyisoquinolin-1-yl)piperidin-4-amine (PubChem CID 106540923) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-ethyl-1-(5-methoxyisoquinolin-1-yl)piperidin-4-amine.

Molecular Properties

Compound Name3-ethyl-1-(5-methoxyisoquinolin-1-yl)piperidin-4-amine
PubChem CID106540923
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name3-ethyl-1-(5-methoxyisoquinolin-1-yl)piperidin-4-amine
SMILESCCC1CN(c2nccc3c(OC)cccc23)CCC1N
InChIInChI=1S/C17H23N3O/c1-3-12-11-20(10-8-15(12)18)17-14-5-4-6-16(21-2)13(14)7-9-19-17/h4-7,9,12,15H,3,8,10-11,18H2,1-2H3
InChIKeyVNGWTIAXFPPXJK-UHFFFAOYSA-N
XLogP2.81
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-ethyl-1-(5-methoxyisoquinolin-1-yl)piperidin-4-amine 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-(5-methoxyisoquinolin-1-yl)piperidin-4-ol
CID 106541346
1-[3-(bromomethyl)piperidin-1-yl]-5-methoxyisoquinoline
CID 106542924
1-(4-amino-3-ethylpiperidin-1-yl)isoquinolin-7-ol
CID 106540925
2-[1-(5-methoxyisoquinolin-1-yl)piperidin-4-yl]-N,N-dimethylacetamide
CID 136545971
[1-(5-methoxyisoquinolin-1-yl)pyrrolidin-2-yl]methanamine
CID 106540997
1-(5-methoxyisoquinolin-1-yl)piperidine-2-carbaldehyde
CID 106542383
1-[2-(bromomethyl)azepan-1-yl]-5-methoxyisoquinoline
CID 106543196
N-[(4-aminocyclohexyl)methyl]-5-methoxyisoquinolin-1-amine
CID 106128982
1-[1-(5-methoxyisoquinolin-1-yl)piperidin-2-yl]-N-methylmethanamine
CID 106540539
1-(3,5-difluoro-2-pyridinyl)-3-ethylpiperidin-4-amine
CID 112676232
5-methoxy-1-(2-methylpiperazin-1-yl)isoquinoline
CID 106542347
1-(7-fluoroisoquinolin-1-yl)-3-methoxypiperidin-4-amine
CID 121415476

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(5-methoxyisoquinolin-1-yl)piperidin-4-amine?
The IUPAC name of 3-ethyl-1-(5-methoxyisoquinolin-1-yl)piperidin-4-amine (CID 106540923) is 3-ethyl-1-(5-methoxyisoquinolin-1-yl)piperidin-4-amine.
What is the SMILES notation for 3-ethyl-1-(5-methoxyisoquinolin-1-yl)piperidin-4-amine?
The canonical SMILES for 3-ethyl-1-(5-methoxyisoquinolin-1-yl)piperidin-4-amine is CCC1CN(c2nccc3c(OC)cccc23)CCC1N.
What is the InChIKey of 3-ethyl-1-(5-methoxyisoquinolin-1-yl)piperidin-4-amine?
The InChIKey is VNGWTIAXFPPXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-3-12-11-20(10-8-15(12)18)17-14-5-4-6-16(21-2)13(14)7-9-19-17/h4-7,9,12,15H,3,8,10-11,18H2,1-2H3.
What are the key properties of 3-ethyl-1-(5-methoxyisoquinolin-1-yl)piperidin-4-amine?
3-ethyl-1-(5-methoxyisoquinolin-1-yl)piperidin-4-amine has a molecular weight of 285.39 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(5-methoxyisoquinolin-1-yl)piperidin-4-amine is sourced from PubChem (CID 106540923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).