6-(4-ethoxypiperidin-1-yl)isoquinolin-5-amine

C16H21N3O — CID 106947725

IUPAC6-(4-ethoxypiperidin-1-yl)isoquinolin-5-amine
SMILESCCOC1CCN(c2ccc3cnccc3c2N)CC1
InChIInChI=1S/C16H21N3O/c1-2-20-13-6-9-19(10-7-13)15-4-3-12-11-18-8-5-14(12)16(15)17/h3-5,8,11,13H,2,6-7,9-10,17H2,1H3
InChIKeyNMHZAAGXKPHUMY-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.82
Rot. Bonds3

About 6-(4-ethoxypiperidin-1-yl)isoquinolin-5-amine

6-(4-ethoxypiperidin-1-yl)isoquinolin-5-amine (PubChem CID 106947725) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 6-(4-ethoxypiperidin-1-yl)isoquinolin-5-amine.

Molecular Properties

Compound Name6-(4-ethoxypiperidin-1-yl)isoquinolin-5-amine
PubChem CID106947725
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name6-(4-ethoxypiperidin-1-yl)isoquinolin-5-amine
SMILESCCOC1CCN(c2ccc3cnccc3c2N)CC1
InChIInChI=1S/C16H21N3O/c1-2-20-13-6-9-19(10-7-13)15-4-3-12-11-18-8-5-14(12)16(15)17/h3-5,8,11,13H,2,6-7,9-10,17H2,1H3
InChIKeyNMHZAAGXKPHUMY-UHFFFAOYSA-N
XLogP2.82
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[1-(5-aminoisoquinolin-6-yl)pyrrolidin-3-yl]ethanol
CID 106948479
6-(8-azaspiro[4.5]decan-8-yl)isoquinolin-5-amine
CID 106948060
6-(1,4-oxazepan-4-yl)isoquinolin-5-amine
CID 106948042
4-(4-ethoxypiperidin-1-yl)pyrimidin-2-amine
CID 80798046
2-(4-ethoxypiperidin-1-yl)-5-fluoroaniline
CID 61220325
6-(2-cyclopentylpyrrolidin-1-yl)isoquinolin-5-amine
CID 106947950
1-(5-aminoisoquinolin-6-yl)-3-methylpiperidin-3-ol
CID 106948453
6-(cyclopropylmethoxy)isoquinolin-5-amine
CID 106948623
2-(4-ethoxypiperidin-1-yl)-4,5-dimethylaniline
CID 114281233
6-(4-ethoxypiperidin-1-yl)pyridin-3-amine
CID 61220344
3-ethoxy-1-isoquinolin-5-ylcyclobutan-1-ol
CID 106823348
2-[1-(5-aminoquinolin-6-yl)piperidin-4-yl]oxyethanol
CID 82011421

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxypiperidin-1-yl)isoquinolin-5-amine?
The IUPAC name of 6-(4-ethoxypiperidin-1-yl)isoquinolin-5-amine (CID 106947725) is 6-(4-ethoxypiperidin-1-yl)isoquinolin-5-amine.
What is the SMILES notation for 6-(4-ethoxypiperidin-1-yl)isoquinolin-5-amine?
The canonical SMILES for 6-(4-ethoxypiperidin-1-yl)isoquinolin-5-amine is CCOC1CCN(c2ccc3cnccc3c2N)CC1.
What is the InChIKey of 6-(4-ethoxypiperidin-1-yl)isoquinolin-5-amine?
The InChIKey is NMHZAAGXKPHUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-2-20-13-6-9-19(10-7-13)15-4-3-12-11-18-8-5-14(12)16(15)17/h3-5,8,11,13H,2,6-7,9-10,17H2,1H3.
What are the key properties of 6-(4-ethoxypiperidin-1-yl)isoquinolin-5-amine?
6-(4-ethoxypiperidin-1-yl)isoquinolin-5-amine has a molecular weight of 271.36 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethoxypiperidin-1-yl)isoquinolin-5-amine is sourced from PubChem (CID 106947725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).