2-methyl-6-(3-methylpiperidin-1-yl)pyridine-3-carbaldehyde

C13H18N2O — CID 168665762

IUPAC2-methyl-6-(3-methylpiperidin-1-yl)pyridine-3-carbaldehyde
SMILESCc1nc(N2CCCC(C)C2)ccc1C=O
InChIInChI=1S/C13H18N2O/c1-10-4-3-7-15(8-10)13-6-5-12(9-16)11(2)14-13/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyDGXNRZVOGWTQGS-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.44
Rot. Bonds2

About 2-methyl-6-(3-methylpiperidin-1-yl)pyridine-3-carbaldehyde

2-methyl-6-(3-methylpiperidin-1-yl)pyridine-3-carbaldehyde (PubChem CID 168665762) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-methyl-6-(3-methylpiperidin-1-yl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-methyl-6-(3-methylpiperidin-1-yl)pyridine-3-carbaldehyde
PubChem CID168665762
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2-methyl-6-(3-methylpiperidin-1-yl)pyridine-3-carbaldehyde
SMILESCc1nc(N2CCCC(C)C2)ccc1C=O
InChIInChI=1S/C13H18N2O/c1-10-4-3-7-15(8-10)13-6-5-12(9-16)11(2)14-13/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyDGXNRZVOGWTQGS-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'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(3-methylpiperidin-1-yl)pyridine-3-carbaldehyde?
The IUPAC name of 2-methyl-6-(3-methylpiperidin-1-yl)pyridine-3-carbaldehyde (CID 168665762) is 2-methyl-6-(3-methylpiperidin-1-yl)pyridine-3-carbaldehyde.
What is the SMILES notation for 2-methyl-6-(3-methylpiperidin-1-yl)pyridine-3-carbaldehyde?
The canonical SMILES for 2-methyl-6-(3-methylpiperidin-1-yl)pyridine-3-carbaldehyde is Cc1nc(N2CCCC(C)C2)ccc1C=O.
What is the InChIKey of 2-methyl-6-(3-methylpiperidin-1-yl)pyridine-3-carbaldehyde?
The InChIKey is DGXNRZVOGWTQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-10-4-3-7-15(8-10)13-6-5-12(9-16)11(2)14-13/h5-6,9-10H,3-4,7-8H2,1-2H3.
What are the key properties of 2-methyl-6-(3-methylpiperidin-1-yl)pyridine-3-carbaldehyde?
2-methyl-6-(3-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 2-methyl-6-(3-methylpiperidin-1-yl)pyridine-3-carbaldehyde is sourced from PubChem (CID 168665762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).