2-[3-(hydroxymethyl)piperidin-1-yl]-6-methylpyridine-4-carboxylic acid

C13H18N2O3 — CID 113378557

IUPAC2-[3-(hydroxymethyl)piperidin-1-yl]-6-methylpyridine-4-carboxylic acid
SMILESCc1cc(C(=O)O)cc(N2CCCC(CO)C2)n1
InChIInChI=1S/C13H18N2O3/c1-9-5-11(13(17)18)6-12(14-9)15-4-2-3-10(7-15)8-16/h5-6,10,16H,2-4,7-8H2,1H3,(H,17,18)
InChIKeyQZNWSMHQMIOPAU-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.30
Rot. Bonds3

About 2-[3-(hydroxymethyl)piperidin-1-yl]-6-methylpyridine-4-carboxylic acid

2-[3-(hydroxymethyl)piperidin-1-yl]-6-methylpyridine-4-carboxylic acid (PubChem CID 113378557) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[3-(hydroxymethyl)piperidin-1-yl]-6-methylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[3-(hydroxymethyl)piperidin-1-yl]-6-methylpyridine-4-carboxylic acid
PubChem CID113378557
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-[3-(hydroxymethyl)piperidin-1-yl]-6-methylpyridine-4-carboxylic acid
SMILESCc1cc(C(=O)O)cc(N2CCCC(CO)C2)n1
InChIInChI=1S/C13H18N2O3/c1-9-5-11(13(17)18)6-12(14-9)15-4-2-3-10(7-15)8-16/h5-6,10,16H,2-4,7-8H2,1H3,(H,17,18)
InChIKeyQZNWSMHQMIOPAU-UHFFFAOYSA-N
XLogP1.30
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(hydroxymethyl)piperidin-1-yl]-6-methylpyridine-4-carbothioamide
CID 114767266
2-ethyl-6-(3-ethylpiperidin-1-yl)pyridine-4-carboxylic acid
CID 113380150
2-methyl-6-(3-methylpiperidin-1-yl)pyridine-4-carboxamide
CID 90718373
2-methyl-6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine-4-carboxylic acid
CID 114271864
[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanol
CID 61313722
2-chloro-6-[3-(methoxymethyl)piperidin-1-yl]pyridine-4-carboxylic acid
CID 106587160
2-methyl-6-(3-propan-2-ylpyrrolidin-1-yl)pyridine-4-carboxylic acid
CID 113417713
2-chloro-6-[3-(methylaminomethyl)piperidin-1-yl]pyridine-4-carboxylic acid
CID 61404286
2-[1-[4-(hydroxymethyl)-6-methyl-2-pyridinyl]piperidin-3-yl]ethanol
CID 107228576
[(3S)-1-(4-chloro-6-methylpyrimidin-2-yl)piperidin-3-yl]methanol
CID 86329185
[(3R)-1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]methanol
CID 86329188
[1-[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]piperidin-3-yl]methanol
CID 81050851

Frequently Asked Questions

What is the IUPAC name of 2-[3-(hydroxymethyl)piperidin-1-yl]-6-methylpyridine-4-carboxylic acid?
The IUPAC name of 2-[3-(hydroxymethyl)piperidin-1-yl]-6-methylpyridine-4-carboxylic acid (CID 113378557) is 2-[3-(hydroxymethyl)piperidin-1-yl]-6-methylpyridine-4-carboxylic acid.
What is the SMILES notation for 2-[3-(hydroxymethyl)piperidin-1-yl]-6-methylpyridine-4-carboxylic acid?
The canonical SMILES for 2-[3-(hydroxymethyl)piperidin-1-yl]-6-methylpyridine-4-carboxylic acid is Cc1cc(C(=O)O)cc(N2CCCC(CO)C2)n1.
What is the InChIKey of 2-[3-(hydroxymethyl)piperidin-1-yl]-6-methylpyridine-4-carboxylic acid?
The InChIKey is QZNWSMHQMIOPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-9-5-11(13(17)18)6-12(14-9)15-4-2-3-10(7-15)8-16/h5-6,10,16H,2-4,7-8H2,1H3,(H,17,18).
What are the key properties of 2-[3-(hydroxymethyl)piperidin-1-yl]-6-methylpyridine-4-carboxylic acid?
2-[3-(hydroxymethyl)piperidin-1-yl]-6-methylpyridine-4-carboxylic acid has a molecular weight of 250.30 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(hydroxymethyl)piperidin-1-yl]-6-methylpyridine-4-carboxylic acid is sourced from PubChem (CID 113378557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).