1-(6-methoxypyridazin-4-yl)piperidine-4-carbaldehyde

C11H15N3O2 — CID 170973058

IUPAC1-(6-methoxypyridazin-4-yl)piperidine-4-carbaldehyde
SMILESCOc1cc(N2CCC(C=O)CC2)cnn1
InChIInChI=1S/C11H15N3O2/c1-16-11-6-10(7-12-13-11)14-4-2-9(8-15)3-5-14/h6-9H,2-5H2,1H3
InChIKeyCJSLQHHFEFZDNY-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.90
Rot. Bonds3

About 1-(6-methoxypyridazin-4-yl)piperidine-4-carbaldehyde

1-(6-methoxypyridazin-4-yl)piperidine-4-carbaldehyde (PubChem CID 170973058) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-(6-methoxypyridazin-4-yl)piperidine-4-carbaldehyde.

Molecular Properties

Compound Name1-(6-methoxypyridazin-4-yl)piperidine-4-carbaldehyde
PubChem CID170973058
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name1-(6-methoxypyridazin-4-yl)piperidine-4-carbaldehyde
SMILESCOc1cc(N2CCC(C=O)CC2)cnn1
InChIInChI=1S/C11H15N3O2/c1-16-11-6-10(7-12-13-11)14-4-2-9(8-15)3-5-14/h6-9H,2-5H2,1H3
InChIKeyCJSLQHHFEFZDNY-UHFFFAOYSA-N
XLogP0.90
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[1-(6-Methoxypyridazin-4-yl)piperidin-4-yl]methanol
CID 176001304
1-[4-[[4-(6-Propan-2-yloxypyridazin-4-yl)piperazin-1-yl]methyl]piperidin-1-yl]propan-2-one
CID 176575573
3-Methyl-1-[4-[[4-(6-propan-2-yloxypyridazin-4-yl)piperazin-1-yl]methyl]piperidin-1-yl]butan-2-one
CID 176580799
3-Methoxy-5-piperidin-1-ylpyridazine
CID 177251954
3-Methoxy-5-(piperazin-1-yl)pyridazine
CID 84075897
1-(6-Methoxypyridazin-4-yl)piperidine-4-carboxylic acid
CID 91812141
1-(6-Ethoxypyridazin-4-yl)piperidine-4-carboxylic acid
CID 91812142
1-(6-Methoxypyridazin-4-yl)piperidine-3-carboxylic acid
CID 91812143
1-(6-Ethoxypyridazin-4-yl)piperidine-3-carboxylic acid
CID 91812144
1-(6-Methoxypyridazin-4-yl)piperidin-4-amine
CID 91812153
(3R)-1-(6-ethoxypyridazin-4-yl)piperidine-3-carboxylic acid
CID 126422407
(3S)-1-(6-ethoxypyridazin-4-yl)piperidine-3-carboxylic acid
CID 126422408

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxypyridazin-4-yl)piperidine-4-carbaldehyde?
The IUPAC name of 1-(6-methoxypyridazin-4-yl)piperidine-4-carbaldehyde (CID 170973058) is 1-(6-methoxypyridazin-4-yl)piperidine-4-carbaldehyde.
What is the SMILES notation for 1-(6-methoxypyridazin-4-yl)piperidine-4-carbaldehyde?
The canonical SMILES for 1-(6-methoxypyridazin-4-yl)piperidine-4-carbaldehyde is COc1cc(N2CCC(C=O)CC2)cnn1.
What is the InChIKey of 1-(6-methoxypyridazin-4-yl)piperidine-4-carbaldehyde?
The InChIKey is CJSLQHHFEFZDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-16-11-6-10(7-12-13-11)14-4-2-9(8-15)3-5-14/h6-9H,2-5H2,1H3.
What are the key properties of 1-(6-methoxypyridazin-4-yl)piperidine-4-carbaldehyde?
1-(6-methoxypyridazin-4-yl)piperidine-4-carbaldehyde has a molecular weight of 221.26 g/mol, XLogP of 0.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxypyridazin-4-yl)piperidine-4-carbaldehyde is sourced from PubChem (CID 170973058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).