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

C16H21N3O — CID 106537508

IUPAC5-methoxy-N-(1-methylpiperidin-4-yl)isoquinolin-1-amine
SMILESCOc1cccc2c(NC3CCN(C)CC3)nccc12
InChIInChI=1S/C16H21N3O/c1-19-10-7-12(8-11-19)18-16-14-4-3-5-15(20-2)13(14)6-9-17-16/h3-6,9,12H,7-8,10-11H2,1-2H3,(H,17,18)
InChIKeyTZJQBRZEMWKEGV-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.75
Rot. Bonds3

About 5-methoxy-N-(1-methylpiperidin-4-yl)isoquinolin-1-amine

5-methoxy-N-(1-methylpiperidin-4-yl)isoquinolin-1-amine (PubChem CID 106537508) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 5-methoxy-N-(1-methylpiperidin-4-yl)isoquinolin-1-amine.

Molecular Properties

Compound Name5-methoxy-N-(1-methylpiperidin-4-yl)isoquinolin-1-amine
PubChem CID106537508
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name5-methoxy-N-(1-methylpiperidin-4-yl)isoquinolin-1-amine
SMILESCOc1cccc2c(NC3CCN(C)CC3)nccc12
InChIInChI=1S/C16H21N3O/c1-19-10-7-12(8-11-19)18-16-14-4-3-5-15(20-2)13(14)6-9-17-16/h3-6,9,12H,7-8,10-11H2,1-2H3,(H,17,18)
InChIKeyTZJQBRZEMWKEGV-UHFFFAOYSA-N
XLogP2.75
TPSA37.39 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 ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-5-methoxyisoquinolin-1-amine
CID 106537183
N-cyclohex-3-en-1-yl-5-methoxyisoquinolin-1-amine
CID 106538942
5-methoxy-N-(4-methylpiperazin-1-yl)isoquinolin-1-amine
CID 106539308
N-(1-ethylpiperidin-3-yl)-5-methoxyisoquinolin-1-amine
CID 106537883
5-[(5-methoxyisoquinolin-1-yl)amino]-1-methylpiperidin-2-one
CID 106538817
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-methoxyisoquinolin-1-amine
CID 106537339
N-(2,3-dimethylcyclopentyl)-5-methoxyisoquinolin-1-amine
CID 106538850
5-methoxy-N-(oxan-3-yl)isoquinolin-1-amine
CID 106538566
2-N-(5-methoxyisoquinolin-1-yl)cyclohexane-1,2-diamine
CID 106540400
5-methoxy-N-[(1-methylpiperidin-2-yl)methyl]isoquinolin-1-amine
CID 106538194
6,7-dimethoxy-N-(1-methylpiperidin-4-yl)quinazolin-4-amine
CID 175487045
N-(1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalen-2-yl)-5-methoxyisoquinolin-1-amine
CID 167801144

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-(1-methylpiperidin-4-yl)isoquinolin-1-amine?
The IUPAC name of 5-methoxy-N-(1-methylpiperidin-4-yl)isoquinolin-1-amine (CID 106537508) is 5-methoxy-N-(1-methylpiperidin-4-yl)isoquinolin-1-amine.
What is the SMILES notation for 5-methoxy-N-(1-methylpiperidin-4-yl)isoquinolin-1-amine?
The canonical SMILES for 5-methoxy-N-(1-methylpiperidin-4-yl)isoquinolin-1-amine is COc1cccc2c(NC3CCN(C)CC3)nccc12.
What is the InChIKey of 5-methoxy-N-(1-methylpiperidin-4-yl)isoquinolin-1-amine?
The InChIKey is TZJQBRZEMWKEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-19-10-7-12(8-11-19)18-16-14-4-3-5-15(20-2)13(14)6-9-17-16/h3-6,9,12H,7-8,10-11H2,1-2H3,(H,17,18).
What are the key properties of 5-methoxy-N-(1-methylpiperidin-4-yl)isoquinolin-1-amine?
5-methoxy-N-(1-methylpiperidin-4-yl)isoquinolin-1-amine has a molecular weight of 271.36 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-(1-methylpiperidin-4-yl)isoquinolin-1-amine is sourced from PubChem (CID 106537508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).