2-methyl-6-piperidin-1-ylpyridine-3-carbaldehyde

C12H16N2O — CID 102546212

IUPAC2-methyl-6-piperidin-1-ylpyridine-3-carbaldehyde
SMILESCc1nc(N2CCCCC2)ccc1C=O
InChIInChI=1S/C12H16N2O/c1-10-11(9-15)5-6-12(13-10)14-7-3-2-4-8-14/h5-6,9H,2-4,7-8H2,1H3
InChIKeySPNGPJJFFVSAME-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.19
Rot. Bonds2

About 2-methyl-6-piperidin-1-ylpyridine-3-carbaldehyde

2-methyl-6-piperidin-1-ylpyridine-3-carbaldehyde (PubChem CID 102546212) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-methyl-6-piperidin-1-ylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-methyl-6-piperidin-1-ylpyridine-3-carbaldehyde
PubChem CID102546212
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-methyl-6-piperidin-1-ylpyridine-3-carbaldehyde
SMILESCc1nc(N2CCCCC2)ccc1C=O
InChIInChI=1S/C12H16N2O/c1-10-11(9-15)5-6-12(13-10)14-7-3-2-4-8-14/h5-6,9H,2-4,7-8H2,1H3
InChIKeySPNGPJJFFVSAME-UHFFFAOYSA-N
XLogP2.19
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-6-piperidin-1-ylpyridine-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-piperidin-1-ylpyridine-3-carbaldehyde?
The IUPAC name of 2-methyl-6-piperidin-1-ylpyridine-3-carbaldehyde (CID 102546212) is 2-methyl-6-piperidin-1-ylpyridine-3-carbaldehyde.
What is the SMILES notation for 2-methyl-6-piperidin-1-ylpyridine-3-carbaldehyde?
The canonical SMILES for 2-methyl-6-piperidin-1-ylpyridine-3-carbaldehyde is Cc1nc(N2CCCCC2)ccc1C=O.
What is the InChIKey of 2-methyl-6-piperidin-1-ylpyridine-3-carbaldehyde?
The InChIKey is SPNGPJJFFVSAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-10-11(9-15)5-6-12(13-10)14-7-3-2-4-8-14/h5-6,9H,2-4,7-8H2,1H3.
What are the key properties of 2-methyl-6-piperidin-1-ylpyridine-3-carbaldehyde?
2-methyl-6-piperidin-1-ylpyridine-3-carbaldehyde has a molecular weight of 204.27 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-piperidin-1-ylpyridine-3-carbaldehyde is sourced from PubChem (CID 102546212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).