6-methoxy-N-(4-methylpiperidin-4-yl)isoquinolin-1-amine

C16H21N3O — CID 106541117

IUPAC6-methoxy-N-(4-methylpiperidin-4-yl)isoquinolin-1-amine
SMILESCOc1ccc2c(NC3(C)CCNCC3)nccc2c1
InChIInChI=1S/C16H21N3O/c1-16(6-9-17-10-7-16)19-15-14-4-3-13(20-2)11-12(14)5-8-18-15/h3-5,8,11,17H,6-7,9-10H2,1-2H3,(H,18,19)
InChIKeyDTWAUEOPIHHWKR-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.80
Rot. Bonds3

About 6-methoxy-N-(4-methylpiperidin-4-yl)isoquinolin-1-amine

6-methoxy-N-(4-methylpiperidin-4-yl)isoquinolin-1-amine (PubChem CID 106541117) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 6-methoxy-N-(4-methylpiperidin-4-yl)isoquinolin-1-amine.

Molecular Properties

Compound Name6-methoxy-N-(4-methylpiperidin-4-yl)isoquinolin-1-amine
PubChem CID106541117
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name6-methoxy-N-(4-methylpiperidin-4-yl)isoquinolin-1-amine
SMILESCOc1ccc2c(NC3(C)CCNCC3)nccc2c1
InChIInChI=1S/C16H21N3O/c1-16(6-9-17-10-7-16)19-15-14-4-3-13(20-2)11-12(14)5-8-18-15/h3-5,8,11,17H,6-7,9-10H2,1-2H3,(H,18,19)
InChIKeyDTWAUEOPIHHWKR-UHFFFAOYSA-N
XLogP2.80
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-methoxy-N-(3-methylpyrrolidin-3-yl)isoquinolin-1-amine
CID 107425236
N-cyclopentyl-6-methoxyisoquinolin-1-amine
CID 106537185
3-[(6-methoxyisoquinolin-1-yl)amino]oxolane-3-carboxylic acid
CID 106536236
6-methoxy-N-(2-methylcyclopropyl)isoquinolin-1-amine
CID 106538375
N-butan-2-yl-6-methoxyisoquinolin-1-amine
CID 106537166
4-N-(6-methoxyisoquinolin-1-yl)-1-N-methylcyclohexane-1,4-diamine
CID 106540859
4-methoxy-N-(4-methylpiperidin-4-yl)pyrimidin-2-amine
CID 114696985
N-(2-ethylbutyl)-6-methoxyisoquinolin-1-amine
CID 106539875
6-methoxy-N-(2-methylpentan-3-yl)isoquinolin-1-amine
CID 106538043
2-N-(6-methoxyisoquinolin-1-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 106539278
4-[(6-methoxyisoquinolin-1-yl)amino]pyrrolidin-2-one
CID 106191834
6-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]isoquinolin-1-amine
CID 106541129

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(4-methylpiperidin-4-yl)isoquinolin-1-amine?
The IUPAC name of 6-methoxy-N-(4-methylpiperidin-4-yl)isoquinolin-1-amine (CID 106541117) is 6-methoxy-N-(4-methylpiperidin-4-yl)isoquinolin-1-amine.
What is the SMILES notation for 6-methoxy-N-(4-methylpiperidin-4-yl)isoquinolin-1-amine?
The canonical SMILES for 6-methoxy-N-(4-methylpiperidin-4-yl)isoquinolin-1-amine is COc1ccc2c(NC3(C)CCNCC3)nccc2c1.
What is the InChIKey of 6-methoxy-N-(4-methylpiperidin-4-yl)isoquinolin-1-amine?
The InChIKey is DTWAUEOPIHHWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-16(6-9-17-10-7-16)19-15-14-4-3-13(20-2)11-12(14)5-8-18-15/h3-5,8,11,17H,6-7,9-10H2,1-2H3,(H,18,19).
What are the key properties of 6-methoxy-N-(4-methylpiperidin-4-yl)isoquinolin-1-amine?
6-methoxy-N-(4-methylpiperidin-4-yl)isoquinolin-1-amine has a molecular weight of 271.36 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(4-methylpiperidin-4-yl)isoquinolin-1-amine is sourced from PubChem (CID 106541117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).