5-methyl-6-(4-methylpiperidin-1-yl)pyridine-3-carbaldehyde

C13H18N2O — CID 80637128

IUPAC5-methyl-6-(4-methylpiperidin-1-yl)pyridine-3-carbaldehyde
SMILESCc1cc(C=O)cnc1N1CCC(C)CC1
InChIInChI=1S/C13H18N2O/c1-10-3-5-15(6-4-10)13-11(2)7-12(9-16)8-14-13/h7-10H,3-6H2,1-2H3
InChIKeyIZTVPVNMKAWSBH-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.44
Rot. Bonds2

About 5-methyl-6-(4-methylpiperidin-1-yl)pyridine-3-carbaldehyde

5-methyl-6-(4-methylpiperidin-1-yl)pyridine-3-carbaldehyde (PubChem CID 80637128) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 5-methyl-6-(4-methylpiperidin-1-yl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-methyl-6-(4-methylpiperidin-1-yl)pyridine-3-carbaldehyde
PubChem CID80637128
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name5-methyl-6-(4-methylpiperidin-1-yl)pyridine-3-carbaldehyde
SMILESCc1cc(C=O)cnc1N1CCC(C)CC1
InChIInChI=1S/C13H18N2O/c1-10-3-5-15(6-4-10)13-11(2)7-12(9-16)8-14-13/h7-10H,3-6H2,1-2H3
InChIKeyIZTVPVNMKAWSBH-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-methyl-6-(4-methylpiperidin-1-yl)pyridine-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 5-methyl-6-(4-methylpiperidin-1-yl)pyridine-3-carbaldehyde?
The IUPAC name of 5-methyl-6-(4-methylpiperidin-1-yl)pyridine-3-carbaldehyde (CID 80637128) is 5-methyl-6-(4-methylpiperidin-1-yl)pyridine-3-carbaldehyde.
What is the SMILES notation for 5-methyl-6-(4-methylpiperidin-1-yl)pyridine-3-carbaldehyde?
The canonical SMILES for 5-methyl-6-(4-methylpiperidin-1-yl)pyridine-3-carbaldehyde is Cc1cc(C=O)cnc1N1CCC(C)CC1.
What is the InChIKey of 5-methyl-6-(4-methylpiperidin-1-yl)pyridine-3-carbaldehyde?
The InChIKey is IZTVPVNMKAWSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-10-3-5-15(6-4-10)13-11(2)7-12(9-16)8-14-13/h7-10H,3-6H2,1-2H3.
What are the key properties of 5-methyl-6-(4-methylpiperidin-1-yl)pyridine-3-carbaldehyde?
5-methyl-6-(4-methylpiperidin-1-yl)pyridine-3-carbaldehyde has a molecular weight of 218.30 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-(4-methylpiperidin-1-yl)pyridine-3-carbaldehyde is sourced from PubChem (CID 80637128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).