6-(2,3-dimethylpiperidin-1-yl)-5-methylpyridine-3-carboxylic acid

C14H20N2O2 — CID 80631782

IUPAC6-(2,3-dimethylpiperidin-1-yl)-5-methylpyridine-3-carboxylic acid
SMILESCc1cc(C(=O)O)cnc1N1CCCC(C)C1C
InChIInChI=1S/C14H20N2O2/c1-9-5-4-6-16(11(9)3)13-10(2)7-12(8-15-13)14(17)18/h7-9,11H,4-6H2,1-3H3,(H,17,18)
InChIKeyZZROOEZSVJPGRH-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.71
Rot. Bonds2

About 6-(2,3-dimethylpiperidin-1-yl)-5-methylpyridine-3-carboxylic acid

6-(2,3-dimethylpiperidin-1-yl)-5-methylpyridine-3-carboxylic acid (PubChem CID 80631782) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 6-(2,3-dimethylpiperidin-1-yl)-5-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(2,3-dimethylpiperidin-1-yl)-5-methylpyridine-3-carboxylic acid
PubChem CID80631782
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name6-(2,3-dimethylpiperidin-1-yl)-5-methylpyridine-3-carboxylic acid
SMILESCc1cc(C(=O)O)cnc1N1CCCC(C)C1C
InChIInChI=1S/C14H20N2O2/c1-9-5-4-6-16(11(9)3)13-10(2)7-12(8-15-13)14(17)18/h7-9,11H,4-6H2,1-3H3,(H,17,18)
InChIKeyZZROOEZSVJPGRH-UHFFFAOYSA-N
XLogP2.71
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dimethylpiperidin-1-yl)-5-methylpyridine-3-carboxylic acid?
The IUPAC name of 6-(2,3-dimethylpiperidin-1-yl)-5-methylpyridine-3-carboxylic acid (CID 80631782) is 6-(2,3-dimethylpiperidin-1-yl)-5-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-(2,3-dimethylpiperidin-1-yl)-5-methylpyridine-3-carboxylic acid?
The canonical SMILES for 6-(2,3-dimethylpiperidin-1-yl)-5-methylpyridine-3-carboxylic acid is Cc1cc(C(=O)O)cnc1N1CCCC(C)C1C.
What is the InChIKey of 6-(2,3-dimethylpiperidin-1-yl)-5-methylpyridine-3-carboxylic acid?
The InChIKey is ZZROOEZSVJPGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9-5-4-6-16(11(9)3)13-10(2)7-12(8-15-13)14(17)18/h7-9,11H,4-6H2,1-3H3,(H,17,18).
What are the key properties of 6-(2,3-dimethylpiperidin-1-yl)-5-methylpyridine-3-carboxylic acid?
6-(2,3-dimethylpiperidin-1-yl)-5-methylpyridine-3-carboxylic acid has a molecular weight of 248.33 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dimethylpiperidin-1-yl)-5-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 80631782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).