4-[(2,4-dimethylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid

C14H20N2O2 — CID 63883370

IUPAC4-[(2,4-dimethylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid
SMILESCC1CCN(Cc2ccnc(C(=O)O)c2)C(C)C1
InChIInChI=1S/C14H20N2O2/c1-10-4-6-16(11(2)7-10)9-12-3-5-15-13(8-12)14(17)18/h3,5,8,10-11H,4,6-7,9H2,1-2H3,(H,17,18)
InChIKeyUAZWCOYELKOCNZ-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.40
Rot. Bonds3

About 4-[(2,4-dimethylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid

4-[(2,4-dimethylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid (PubChem CID 63883370) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-[(2,4-dimethylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[(2,4-dimethylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid
PubChem CID63883370
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name4-[(2,4-dimethylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid
SMILESCC1CCN(Cc2ccnc(C(=O)O)c2)C(C)C1
InChIInChI=1S/C14H20N2O2/c1-10-4-6-16(11(2)7-10)9-12-3-5-15-13(8-12)14(17)18/h3,5,8,10-11H,4,6-7,9H2,1-2H3,(H,17,18)
InChIKeyUAZWCOYELKOCNZ-UHFFFAOYSA-N
XLogP2.40
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(2,4-dimethylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine
CID 63888056
4-[(2,4-dimethylpiperidin-1-yl)methyl]-N-methylpyridin-2-amine
CID 62464715
3-[(2,4-dimethylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid
CID 55145764
4-[[methyl-(3-methylcyclohexyl)amino]methyl]pyridine-2-carboxylic acid
CID 63883397
2-[(2,4-dimethylpiperidin-1-yl)methyl]furan-3-carboxylic acid
CID 62332325
4-[(4-propylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid
CID 63883219
3-[5-[(2,4-dimethylpiperidin-1-yl)methyl]-2-fluorophenyl]prop-2-enoic acid
CID 76939955
[4-[(2,4-dimethylpiperidin-1-yl)methyl]phenyl]-trimethylsilane
CID 103438410
1-[(3-hydroxyphenyl)methyl]-2-methylpiperidine-4-carboxylic acid
CID 106745067
4-[(4-tert-butylpiperazin-1-yl)methyl]pyridine-2-carboxylic acid
CID 63881276
N-[(2S,4R)-1-benzyl-2-methylpiperidin-4-yl]-5-cyclopropyl-N-methyl-1,2-oxazole-3-carboxamide
CID 124606981
4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]pyridine-2-carboxylic acid
CID 63883208

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dimethylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[(2,4-dimethylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid (CID 63883370) is 4-[(2,4-dimethylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[(2,4-dimethylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[(2,4-dimethylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid is CC1CCN(Cc2ccnc(C(=O)O)c2)C(C)C1.
What is the InChIKey of 4-[(2,4-dimethylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid?
The InChIKey is UAZWCOYELKOCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-4-6-16(11(2)7-10)9-12-3-5-15-13(8-12)14(17)18/h3,5,8,10-11H,4,6-7,9H2,1-2H3,(H,17,18).
What are the key properties of 4-[(2,4-dimethylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid?
4-[(2,4-dimethylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid has a molecular weight of 248.33 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dimethylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 63883370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).