2-(3-methoxy-3-methylpiperidin-1-yl)-4,6-dimethylpyridine-3-carboxylic acid

C15H22N2O3 — CID 107392995

IUPAC2-(3-methoxy-3-methylpiperidin-1-yl)-4,6-dimethylpyridine-3-carboxylic acid
SMILESCOC1(C)CCCN(c2nc(C)cc(C)c2C(=O)O)C1
InChIInChI=1S/C15H22N2O3/c1-10-8-11(2)16-13(12(10)14(18)19)17-7-5-6-15(3,9-17)20-4/h8H,5-7,9H2,1-4H3,(H,18,19)
InChIKeyQDBNCHHUAIJVID-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.40
Rot. Bonds3

About 2-(3-methoxy-3-methylpiperidin-1-yl)-4,6-dimethylpyridine-3-carboxylic acid

2-(3-methoxy-3-methylpiperidin-1-yl)-4,6-dimethylpyridine-3-carboxylic acid (PubChem CID 107392995) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-(3-methoxy-3-methylpiperidin-1-yl)-4,6-dimethylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(3-methoxy-3-methylpiperidin-1-yl)-4,6-dimethylpyridine-3-carboxylic acid
PubChem CID107392995
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-(3-methoxy-3-methylpiperidin-1-yl)-4,6-dimethylpyridine-3-carboxylic acid
SMILESCOC1(C)CCCN(c2nc(C)cc(C)c2C(=O)O)C1
InChIInChI=1S/C15H22N2O3/c1-10-8-11(2)16-13(12(10)14(18)19)17-7-5-6-15(3,9-17)20-4/h8H,5-7,9H2,1-4H3,(H,18,19)
InChIKeyQDBNCHHUAIJVID-UHFFFAOYSA-N
XLogP2.40
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-3-methylpiperidin-1-yl)-4,6-dimethylpyridine-3-carboxylic acid?
The IUPAC name of 2-(3-methoxy-3-methylpiperidin-1-yl)-4,6-dimethylpyridine-3-carboxylic acid (CID 107392995) is 2-(3-methoxy-3-methylpiperidin-1-yl)-4,6-dimethylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-(3-methoxy-3-methylpiperidin-1-yl)-4,6-dimethylpyridine-3-carboxylic acid?
The canonical SMILES for 2-(3-methoxy-3-methylpiperidin-1-yl)-4,6-dimethylpyridine-3-carboxylic acid is COC1(C)CCCN(c2nc(C)cc(C)c2C(=O)O)C1.
What is the InChIKey of 2-(3-methoxy-3-methylpiperidin-1-yl)-4,6-dimethylpyridine-3-carboxylic acid?
The InChIKey is QDBNCHHUAIJVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10-8-11(2)16-13(12(10)14(18)19)17-7-5-6-15(3,9-17)20-4/h8H,5-7,9H2,1-4H3,(H,18,19).
What are the key properties of 2-(3-methoxy-3-methylpiperidin-1-yl)-4,6-dimethylpyridine-3-carboxylic acid?
2-(3-methoxy-3-methylpiperidin-1-yl)-4,6-dimethylpyridine-3-carboxylic acid has a molecular weight of 278.35 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-3-methylpiperidin-1-yl)-4,6-dimethylpyridine-3-carboxylic acid is sourced from PubChem (CID 107392995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).