1-(7-methoxyisoquinolin-1-yl)piperidine-2-carbaldehyde

C16H18N2O2 — CID 106542379

IUPAC1-(7-methoxyisoquinolin-1-yl)piperidine-2-carbaldehyde
SMILESCOc1ccc2ccnc(N3CCCCC3C=O)c2c1
InChIInChI=1S/C16H18N2O2/c1-20-14-6-5-12-7-8-17-16(15(12)10-14)18-9-3-2-4-13(18)11-19/h5-8,10-11,13H,2-4,9H2,1H3
InChIKeyOMAFGVKPUUKKSJ-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.80
Rot. Bonds3

About 1-(7-methoxyisoquinolin-1-yl)piperidine-2-carbaldehyde

1-(7-methoxyisoquinolin-1-yl)piperidine-2-carbaldehyde (PubChem CID 106542379) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-(7-methoxyisoquinolin-1-yl)piperidine-2-carbaldehyde.

Molecular Properties

Compound Name1-(7-methoxyisoquinolin-1-yl)piperidine-2-carbaldehyde
PubChem CID106542379
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name1-(7-methoxyisoquinolin-1-yl)piperidine-2-carbaldehyde
SMILESCOc1ccc2ccnc(N3CCCCC3C=O)c2c1
InChIInChI=1S/C16H18N2O2/c1-20-14-6-5-12-7-8-17-16(15(12)10-14)18-9-3-2-4-13(18)11-19/h5-8,10-11,13H,2-4,9H2,1H3
InChIKeyOMAFGVKPUUKKSJ-UHFFFAOYSA-N
XLogP2.80
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(7-methoxyisoquinolin-1-yl)piperidin-2-yl]ethanone
CID 106536762
1-(5-methoxyisoquinolin-1-yl)piperidine-2-carbaldehyde
CID 106542383
1-(7-methoxyisoquinolin-1-yl)-2-methylpyrrolidine-3-carboxylic acid
CID 106536320
1-[2-(chloromethyl)azepan-1-yl]-6-methoxyisoquinoline
CID 106543197
[1-(7-methoxyisoquinolin-1-yl)-3-methylpyrrolidin-2-yl]methanamine
CID 106543635
1-furo[3,2-c]pyridin-4-ylpiperidine-2-carbaldehyde
CID 106535618
[1-(7-methoxyisoquinolin-1-yl)piperidin-4-yl]methanamine
CID 106536607
1-(4,6-dimethoxypyrimidin-2-yl)piperidine-2-carbaldehyde
CID 113293059
1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde
CID 137008211
1-(7-methoxyisoquinolin-1-yl)azetidin-3-amine
CID 106540757
1-(2-ethylpiperazin-1-yl)-7-methoxyisoquinoline
CID 106542352
1-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]-7-methoxyisoquinoline
CID 25180239

Frequently Asked Questions

What is the IUPAC name of 1-(7-methoxyisoquinolin-1-yl)piperidine-2-carbaldehyde?
The IUPAC name of 1-(7-methoxyisoquinolin-1-yl)piperidine-2-carbaldehyde (CID 106542379) is 1-(7-methoxyisoquinolin-1-yl)piperidine-2-carbaldehyde.
What is the SMILES notation for 1-(7-methoxyisoquinolin-1-yl)piperidine-2-carbaldehyde?
The canonical SMILES for 1-(7-methoxyisoquinolin-1-yl)piperidine-2-carbaldehyde is COc1ccc2ccnc(N3CCCCC3C=O)c2c1.
What is the InChIKey of 1-(7-methoxyisoquinolin-1-yl)piperidine-2-carbaldehyde?
The InChIKey is OMAFGVKPUUKKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-20-14-6-5-12-7-8-17-16(15(12)10-14)18-9-3-2-4-13(18)11-19/h5-8,10-11,13H,2-4,9H2,1H3.
What are the key properties of 1-(7-methoxyisoquinolin-1-yl)piperidine-2-carbaldehyde?
1-(7-methoxyisoquinolin-1-yl)piperidine-2-carbaldehyde has a molecular weight of 270.33 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methoxyisoquinolin-1-yl)piperidine-2-carbaldehyde is sourced from PubChem (CID 106542379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).