1-(5-methoxyisoquinolin-1-yl)piperidine-2-carbaldehyde

C16H18N2O2 — CID 106542383

IUPAC1-(5-methoxyisoquinolin-1-yl)piperidine-2-carbaldehyde
SMILESCOc1cccc2c(N3CCCCC3C=O)nccc12
InChIInChI=1S/C16H18N2O2/c1-20-15-7-4-6-14-13(15)8-9-17-16(14)18-10-3-2-5-12(18)11-19/h4,6-9,11-12H,2-3,5,10H2,1H3
InChIKeyDLJCTWBDULXXFV-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.80
Rot. Bonds3

About 1-(5-methoxyisoquinolin-1-yl)piperidine-2-carbaldehyde

1-(5-methoxyisoquinolin-1-yl)piperidine-2-carbaldehyde (PubChem CID 106542383) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-(5-methoxyisoquinolin-1-yl)piperidine-2-carbaldehyde.

Molecular Properties

Compound Name1-(5-methoxyisoquinolin-1-yl)piperidine-2-carbaldehyde
PubChem CID106542383
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name1-(5-methoxyisoquinolin-1-yl)piperidine-2-carbaldehyde
SMILESCOc1cccc2c(N3CCCCC3C=O)nccc12
InChIInChI=1S/C16H18N2O2/c1-20-15-7-4-6-14-13(15)8-9-17-16(14)18-10-3-2-5-12(18)11-19/h4,6-9,11-12H,2-3,5,10H2,1H3
InChIKeyDLJCTWBDULXXFV-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-[2-(bromomethyl)azepan-1-yl]-5-methoxyisoquinoline
CID 106543196
1-[1-(5-methoxyisoquinolin-1-yl)piperidin-2-yl]-N-methylmethanamine
CID 106540539
[1-(5-methoxyisoquinolin-1-yl)pyrrolidin-2-yl]methanamine
CID 106540997
1-(7-methoxyisoquinolin-1-yl)piperidine-2-carbaldehyde
CID 106542379
5-methoxy-1-(2-methylpiperazin-1-yl)isoquinoline
CID 106542347
1-furo[3,2-c]pyridin-4-ylpiperidine-2-carbaldehyde
CID 106535618
1-[3-(bromomethyl)piperidin-1-yl]-5-methoxyisoquinoline
CID 106542924
1-(5-methoxyisoquinolin-1-yl)piperidin-4-ol
CID 106541346
1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde
CID 137008211
2-[1-(5-methoxyisoquinolin-1-yl)piperidin-4-yl]-N,N-dimethylacetamide
CID 136545971
3-ethyl-1-(5-methoxyisoquinolin-1-yl)piperidin-4-amine
CID 106540923
1-pyrazolo[1,5-a]pyrazin-4-ylpiperidine-2-carbaldehyde
CID 104733726

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxyisoquinolin-1-yl)piperidine-2-carbaldehyde?
The IUPAC name of 1-(5-methoxyisoquinolin-1-yl)piperidine-2-carbaldehyde (CID 106542383) is 1-(5-methoxyisoquinolin-1-yl)piperidine-2-carbaldehyde.
What is the SMILES notation for 1-(5-methoxyisoquinolin-1-yl)piperidine-2-carbaldehyde?
The canonical SMILES for 1-(5-methoxyisoquinolin-1-yl)piperidine-2-carbaldehyde is COc1cccc2c(N3CCCCC3C=O)nccc12.
What is the InChIKey of 1-(5-methoxyisoquinolin-1-yl)piperidine-2-carbaldehyde?
The InChIKey is DLJCTWBDULXXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-20-15-7-4-6-14-13(15)8-9-17-16(14)18-10-3-2-5-12(18)11-19/h4,6-9,11-12H,2-3,5,10H2,1H3.
What are the key properties of 1-(5-methoxyisoquinolin-1-yl)piperidine-2-carbaldehyde?
1-(5-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-(5-methoxyisoquinolin-1-yl)piperidine-2-carbaldehyde is sourced from PubChem (CID 106542383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).