1-[1-(3,5-dimethylpiperidin-1-yl)isoquinolin-4-yl]-N-methylmethanamine

C18H25N3 — CID 106774888

IUPAC1-[1-(3,5-dimethylpiperidin-1-yl)isoquinolin-4-yl]-N-methylmethanamine
SMILESCNCc1cnc(N2CC(C)CC(C)C2)c2ccccc12
InChIInChI=1S/C18H25N3/c1-13-8-14(2)12-21(11-13)18-17-7-5-4-6-16(17)15(9-19-3)10-20-18/h4-7,10,13-14,19H,8-9,11-12H2,1-3H3
InChIKeyOIOMSHTURMGNLW-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.44
Rot. Bonds3

About 1-[1-(3,5-dimethylpiperidin-1-yl)isoquinolin-4-yl]-N-methylmethanamine

1-[1-(3,5-dimethylpiperidin-1-yl)isoquinolin-4-yl]-N-methylmethanamine (PubChem CID 106774888) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-[1-(3,5-dimethylpiperidin-1-yl)isoquinolin-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(3,5-dimethylpiperidin-1-yl)isoquinolin-4-yl]-N-methylmethanamine
PubChem CID106774888
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name1-[1-(3,5-dimethylpiperidin-1-yl)isoquinolin-4-yl]-N-methylmethanamine
SMILESCNCc1cnc(N2CC(C)CC(C)C2)c2ccccc12
InChIInChI=1S/C18H25N3/c1-13-8-14(2)12-21(11-13)18-17-7-5-4-6-16(17)15(9-19-3)10-20-18/h4-7,10,13-14,19H,8-9,11-12H2,1-3H3
InChIKeyOIOMSHTURMGNLW-UHFFFAOYSA-N
XLogP3.44
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[1-(4-methylazepan-1-yl)isoquinolin-4-yl]methanamine
CID 106776173
N-methyl-1-[1-(4-methyl-1,4-diazepan-1-yl)isoquinolin-4-yl]methanamine
CID 106774974
1-[2-(3,5-dimethylpiperidin-1-yl)quinolin-3-yl]-N-methylmethanamine
CID 43281052
4-[4-(chloromethyl)isoquinolin-1-yl]-2,6-dimethylthiomorpholine
CID 106769219
N-methyl-1-(1-methylisoquinolin-4-yl)methanamine
CID 154939630
1-[4-(3,5-dimethylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine
CID 81249384
[1-(2,4-dimethylpyrrolidin-1-yl)isoquinolin-4-yl]methanamine
CID 106776991
N-[[1-(3-methoxypyrrolidin-1-yl)isoquinolin-4-yl]methyl]ethanamine
CID 106777093
1-[1-(2-ethylimidazol-1-yl)isoquinolin-4-yl]-N-methylmethanamine
CID 106777158
1-[1-(4-chloro-3-methylpyrazol-1-yl)isoquinolin-4-yl]-N-methylmethanamine
CID 106777182
N-methyl-1-[1-(2-methylcyclohexyl)oxyisoquinolin-4-yl]methanamine
CID 106777271
1-(1-methoxyisoquinolin-4-yl)-N-methylmethanamine
CID 106777249

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,5-dimethylpiperidin-1-yl)isoquinolin-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(3,5-dimethylpiperidin-1-yl)isoquinolin-4-yl]-N-methylmethanamine (CID 106774888) is 1-[1-(3,5-dimethylpiperidin-1-yl)isoquinolin-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(3,5-dimethylpiperidin-1-yl)isoquinolin-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(3,5-dimethylpiperidin-1-yl)isoquinolin-4-yl]-N-methylmethanamine is CNCc1cnc(N2CC(C)CC(C)C2)c2ccccc12.
What is the InChIKey of 1-[1-(3,5-dimethylpiperidin-1-yl)isoquinolin-4-yl]-N-methylmethanamine?
The InChIKey is OIOMSHTURMGNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-13-8-14(2)12-21(11-13)18-17-7-5-4-6-16(17)15(9-19-3)10-20-18/h4-7,10,13-14,19H,8-9,11-12H2,1-3H3.
What are the key properties of 1-[1-(3,5-dimethylpiperidin-1-yl)isoquinolin-4-yl]-N-methylmethanamine?
1-[1-(3,5-dimethylpiperidin-1-yl)isoquinolin-4-yl]-N-methylmethanamine has a molecular weight of 283.42 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,5-dimethylpiperidin-1-yl)isoquinolin-4-yl]-N-methylmethanamine is sourced from PubChem (CID 106774888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).