2-(3-hydroxy-4-methylpiperidin-1-yl)pyrimidine-4-carboxylic acid

C11H15N3O3 — CID 126683791

IUPAC2-(3-hydroxy-4-methylpiperidin-1-yl)pyrimidine-4-carboxylic acid
SMILESCC1CCN(c2nccc(C(=O)O)n2)CC1O
InChIInChI=1S/C11H15N3O3/c1-7-3-5-14(6-9(7)15)11-12-4-2-8(13-11)10(16)17/h2,4,7,9,15H,3,5-6H2,1H3,(H,16,17)
InChIKeyNQNXIGVHONYTMA-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.38
Rot. Bonds2

About 2-(3-hydroxy-4-methylpiperidin-1-yl)pyrimidine-4-carboxylic acid

2-(3-hydroxy-4-methylpiperidin-1-yl)pyrimidine-4-carboxylic acid (PubChem CID 126683791) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-(3-hydroxy-4-methylpiperidin-1-yl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-hydroxy-4-methylpiperidin-1-yl)pyrimidine-4-carboxylic acid
PubChem CID126683791
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name2-(3-hydroxy-4-methylpiperidin-1-yl)pyrimidine-4-carboxylic acid
SMILESCC1CCN(c2nccc(C(=O)O)n2)CC1O
InChIInChI=1S/C11H15N3O3/c1-7-3-5-14(6-9(7)15)11-12-4-2-8(13-11)10(16)17/h2,4,7,9,15H,3,5-6H2,1H3,(H,16,17)
InChIKeyNQNXIGVHONYTMA-UHFFFAOYSA-N
XLogP0.38
TPSA86.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-Pyrimidinecarboxylic acid
CID 169306
2-Methyl-4-pyrimidinecarboxylic acid
CID 18676097
2-Aminopyrimidine-4-carboxylic acid
CID 247194
2-Chloropyrimidine-4-carboxylic acid
CID 22135751
6-(Morpholin-4-yl)pyrimidine-4-carboxylic acid
CID 57296890
2-(Morpholin-4-yl)pyrimidine-4-carboxylic acid
CID 12570280
2-Methoxypyrimidine-4-carboxylic acid
CID 12570285
2-(Propan-2-yl)pyrimidine-4-carboxylic acid
CID 28065127
2-(Methoxymethyl)pyrimidine-4-carboxylic acid
CID 33777527
2-Cyclopropylpyrimidine-4-carboxylic acid
CID 52374412
2-Fluoropyrimidine-4-carboxylic acid
CID 18327794
2-(Pyrrolidin-1-yl)pyrimidine-4-carboxylic acid
CID 44122248

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-4-methylpiperidin-1-yl)pyrimidine-4-carboxylic acid?
The IUPAC name of 2-(3-hydroxy-4-methylpiperidin-1-yl)pyrimidine-4-carboxylic acid (CID 126683791) is 2-(3-hydroxy-4-methylpiperidin-1-yl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-(3-hydroxy-4-methylpiperidin-1-yl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-(3-hydroxy-4-methylpiperidin-1-yl)pyrimidine-4-carboxylic acid is CC1CCN(c2nccc(C(=O)O)n2)CC1O.
What is the InChIKey of 2-(3-hydroxy-4-methylpiperidin-1-yl)pyrimidine-4-carboxylic acid?
The InChIKey is NQNXIGVHONYTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-7-3-5-14(6-9(7)15)11-12-4-2-8(13-11)10(16)17/h2,4,7,9,15H,3,5-6H2,1H3,(H,16,17).
What are the key properties of 2-(3-hydroxy-4-methylpiperidin-1-yl)pyrimidine-4-carboxylic acid?
2-(3-hydroxy-4-methylpiperidin-1-yl)pyrimidine-4-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of 0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-4-methylpiperidin-1-yl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 126683791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).