2-(2,6-dimethylpiperidin-1-yl)pyridine-4-carbaldehyde

C13H18N2O — CID 83888281

IUPAC2-(2,6-dimethylpiperidin-1-yl)pyridine-4-carbaldehyde
SMILESCC1CCCC(C)N1c1cc(C=O)ccn1
InChIInChI=1S/C13H18N2O/c1-10-4-3-5-11(2)15(10)13-8-12(9-16)6-7-14-13/h6-11H,3-5H2,1-2H3
InChIKeyQEKJCZGWLONLIR-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.66
Rot. Bonds2

About 2-(2,6-dimethylpiperidin-1-yl)pyridine-4-carbaldehyde

2-(2,6-dimethylpiperidin-1-yl)pyridine-4-carbaldehyde (PubChem CID 83888281) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-(2,6-dimethylpiperidin-1-yl)pyridine-4-carbaldehyde.

Molecular Properties

Compound Name2-(2,6-dimethylpiperidin-1-yl)pyridine-4-carbaldehyde
PubChem CID83888281
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2-(2,6-dimethylpiperidin-1-yl)pyridine-4-carbaldehyde
SMILESCC1CCCC(C)N1c1cc(C=O)ccn1
InChIInChI=1S/C13H18N2O/c1-10-4-3-5-11(2)15(10)13-8-12(9-16)6-7-14-13/h6-11H,3-5H2,1-2H3
InChIKeyQEKJCZGWLONLIR-UHFFFAOYSA-N
XLogP2.66
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2,6-dimethylpiperidin-1-yl)pyridine-4-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-(2,6-dimethylpiperidin-1-yl)pyridine-4-carbaldehyde?
The IUPAC name of 2-(2,6-dimethylpiperidin-1-yl)pyridine-4-carbaldehyde (CID 83888281) is 2-(2,6-dimethylpiperidin-1-yl)pyridine-4-carbaldehyde.
What is the SMILES notation for 2-(2,6-dimethylpiperidin-1-yl)pyridine-4-carbaldehyde?
The canonical SMILES for 2-(2,6-dimethylpiperidin-1-yl)pyridine-4-carbaldehyde is CC1CCCC(C)N1c1cc(C=O)ccn1.
What is the InChIKey of 2-(2,6-dimethylpiperidin-1-yl)pyridine-4-carbaldehyde?
The InChIKey is QEKJCZGWLONLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-10-4-3-5-11(2)15(10)13-8-12(9-16)6-7-14-13/h6-11H,3-5H2,1-2H3.
What are the key properties of 2-(2,6-dimethylpiperidin-1-yl)pyridine-4-carbaldehyde?
2-(2,6-dimethylpiperidin-1-yl)pyridine-4-carbaldehyde has a molecular weight of 218.30 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylpiperidin-1-yl)pyridine-4-carbaldehyde is sourced from PubChem (CID 83888281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).