2-(4-hydroxy-4-methylpiperidin-1-yl)quinoline-4-carboxylic acid

C16H18N2O3 — CID 81108049

IUPAC2-(4-hydroxy-4-methylpiperidin-1-yl)quinoline-4-carboxylic acid
SMILESCC1(O)CCN(c2cc(C(=O)O)c3ccccc3n2)CC1
InChIInChI=1S/C16H18N2O3/c1-16(21)6-8-18(9-7-16)14-10-12(15(19)20)11-4-2-3-5-13(11)17-14/h2-5,10,21H,6-9H2,1H3,(H,19,20)
InChIKeyIPRXWLNIHKIKOY-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.28
Rot. Bonds2

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

2-(4-hydroxy-4-methylpiperidin-1-yl)quinoline-4-carboxylic acid (PubChem CID 81108049) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-(4-hydroxy-4-methylpiperidin-1-yl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-hydroxy-4-methylpiperidin-1-yl)quinoline-4-carboxylic acid
PubChem CID81108049
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-(4-hydroxy-4-methylpiperidin-1-yl)quinoline-4-carboxylic acid
SMILESCC1(O)CCN(c2cc(C(=O)O)c3ccccc3n2)CC1
InChIInChI=1S/C16H18N2O3/c1-16(21)6-8-18(9-7-16)14-10-12(15(19)20)11-4-2-3-5-13(11)17-14/h2-5,10,21H,6-9H2,1H3,(H,19,20)
InChIKeyIPRXWLNIHKIKOY-UHFFFAOYSA-N
XLogP2.28
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(4-hydroxy-4-methylpiperidin-1-yl)quinoline-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-4-methylpiperidin-1-yl)quinoline-4-carboxylic acid?
The IUPAC name of 2-(4-hydroxy-4-methylpiperidin-1-yl)quinoline-4-carboxylic acid (CID 81108049) is 2-(4-hydroxy-4-methylpiperidin-1-yl)quinoline-4-carboxylic acid.
What is the SMILES notation for 2-(4-hydroxy-4-methylpiperidin-1-yl)quinoline-4-carboxylic acid?
The canonical SMILES for 2-(4-hydroxy-4-methylpiperidin-1-yl)quinoline-4-carboxylic acid is CC1(O)CCN(c2cc(C(=O)O)c3ccccc3n2)CC1.
What is the InChIKey of 2-(4-hydroxy-4-methylpiperidin-1-yl)quinoline-4-carboxylic acid?
The InChIKey is IPRXWLNIHKIKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-16(21)6-8-18(9-7-16)14-10-12(15(19)20)11-4-2-3-5-13(11)17-14/h2-5,10,21H,6-9H2,1H3,(H,19,20).
What are the key properties of 2-(4-hydroxy-4-methylpiperidin-1-yl)quinoline-4-carboxylic acid?
2-(4-hydroxy-4-methylpiperidin-1-yl)quinoline-4-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-4-methylpiperidin-1-yl)quinoline-4-carboxylic acid is sourced from PubChem (CID 81108049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).