1-[1-(5-methoxyisoquinolin-1-yl)piperidin-2-yl]-N-methylmethanamine

C17H23N3O — CID 106540539

IUPAC1-[1-(5-methoxyisoquinolin-1-yl)piperidin-2-yl]-N-methylmethanamine
SMILESCNCC1CCCCN1c1nccc2c(OC)cccc12
InChIInChI=1S/C17H23N3O/c1-18-12-13-6-3-4-11-20(13)17-15-7-5-8-16(21-2)14(15)9-10-19-17/h5,7-10,13,18H,3-4,6,11-12H2,1-2H3
InChIKeyZSTOLFJQCNPDGY-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.82
Rot. Bonds4

About 1-[1-(5-methoxyisoquinolin-1-yl)piperidin-2-yl]-N-methylmethanamine

1-[1-(5-methoxyisoquinolin-1-yl)piperidin-2-yl]-N-methylmethanamine (PubChem CID 106540539) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-[1-(5-methoxyisoquinolin-1-yl)piperidin-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(5-methoxyisoquinolin-1-yl)piperidin-2-yl]-N-methylmethanamine
PubChem CID106540539
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1-[1-(5-methoxyisoquinolin-1-yl)piperidin-2-yl]-N-methylmethanamine
SMILESCNCC1CCCCN1c1nccc2c(OC)cccc12
InChIInChI=1S/C17H23N3O/c1-18-12-13-6-3-4-11-20(13)17-15-7-5-8-16(21-2)14(15)9-10-19-17/h5,7-10,13,18H,3-4,6,11-12H2,1-2H3
InChIKeyZSTOLFJQCNPDGY-UHFFFAOYSA-N
XLogP2.82
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(bromomethyl)azepan-1-yl]-5-methoxyisoquinoline
CID 106543196
[1-(5-methoxyisoquinolin-1-yl)pyrrolidin-2-yl]methanamine
CID 106540997
1-(5-methoxyisoquinolin-1-yl)piperidine-2-carbaldehyde
CID 106542383
5-methoxy-N-[(1-methylpiperidin-2-yl)methyl]isoquinolin-1-amine
CID 106538194
N-methyl-1-(1-quinazolin-4-ylpiperidin-2-yl)methanamine
CID 62586937
N-methyl-1-(1-quinolin-4-ylpyrrolidin-2-yl)methanamine
CID 62585638
1-[3-(bromomethyl)piperidin-1-yl]-5-methoxyisoquinoline
CID 106542924
1-(5-methoxyisoquinolin-1-yl)piperidin-4-ol
CID 106541346
5-methoxy-1-(2-methylpiperazin-1-yl)isoquinoline
CID 106542347
N-cyclopentyl-5-methoxyisoquinolin-1-amine
CID 106537183
3-ethyl-1-(5-methoxyisoquinolin-1-yl)piperidin-4-amine
CID 106540923
1-[1-(7-chloroquinolin-4-yl)piperidin-2-yl]-N-methylmethanamine
CID 62588180

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-methoxyisoquinolin-1-yl)piperidin-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(5-methoxyisoquinolin-1-yl)piperidin-2-yl]-N-methylmethanamine (CID 106540539) is 1-[1-(5-methoxyisoquinolin-1-yl)piperidin-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(5-methoxyisoquinolin-1-yl)piperidin-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(5-methoxyisoquinolin-1-yl)piperidin-2-yl]-N-methylmethanamine is CNCC1CCCCN1c1nccc2c(OC)cccc12.
What is the InChIKey of 1-[1-(5-methoxyisoquinolin-1-yl)piperidin-2-yl]-N-methylmethanamine?
The InChIKey is ZSTOLFJQCNPDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-18-12-13-6-3-4-11-20(13)17-15-7-5-8-16(21-2)14(15)9-10-19-17/h5,7-10,13,18H,3-4,6,11-12H2,1-2H3.
What are the key properties of 1-[1-(5-methoxyisoquinolin-1-yl)piperidin-2-yl]-N-methylmethanamine?
1-[1-(5-methoxyisoquinolin-1-yl)piperidin-2-yl]-N-methylmethanamine has a molecular weight of 285.39 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-methoxyisoquinolin-1-yl)piperidin-2-yl]-N-methylmethanamine is sourced from PubChem (CID 106540539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).