6-(4-hydroxypiperidin-1-yl)-4-(2-methylphenyl)pyridine-3-carboxylic acid

C18H20N2O3 — CID 22992324

IUPAC6-(4-hydroxypiperidin-1-yl)-4-(2-methylphenyl)pyridine-3-carboxylic acid
SMILESCc1ccccc1-c1cc(N2CCC(O)CC2)ncc1C(=O)O
InChIInChI=1S/C18H20N2O3/c1-12-4-2-3-5-14(12)15-10-17(19-11-16(15)18(22)23)20-8-6-13(21)7-9-20/h2-5,10-11,13,21H,6-9H2,1H3,(H,22,23)
InChIKeyORECJOQZSCZQML-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.72
Rot. Bonds3

About 6-(4-hydroxypiperidin-1-yl)-4-(2-methylphenyl)pyridine-3-carboxylic acid

6-(4-hydroxypiperidin-1-yl)-4-(2-methylphenyl)pyridine-3-carboxylic acid (PubChem CID 22992324) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 6-(4-hydroxypiperidin-1-yl)-4-(2-methylphenyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(4-hydroxypiperidin-1-yl)-4-(2-methylphenyl)pyridine-3-carboxylic acid
PubChem CID22992324
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name6-(4-hydroxypiperidin-1-yl)-4-(2-methylphenyl)pyridine-3-carboxylic acid
SMILESCc1ccccc1-c1cc(N2CCC(O)CC2)ncc1C(=O)O
InChIInChI=1S/C18H20N2O3/c1-12-4-2-3-5-14(12)15-10-17(19-11-16(15)18(22)23)20-8-6-13(21)7-9-20/h2-5,10-11,13,21H,6-9H2,1H3,(H,22,23)
InChIKeyORECJOQZSCZQML-UHFFFAOYSA-N
XLogP2.72
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-hydroxypiperidin-1-yl)-4-(2-methylphenyl)pyridine-3-carboxylic acid?
The IUPAC name of 6-(4-hydroxypiperidin-1-yl)-4-(2-methylphenyl)pyridine-3-carboxylic acid (CID 22992324) is 6-(4-hydroxypiperidin-1-yl)-4-(2-methylphenyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(4-hydroxypiperidin-1-yl)-4-(2-methylphenyl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(4-hydroxypiperidin-1-yl)-4-(2-methylphenyl)pyridine-3-carboxylic acid is Cc1ccccc1-c1cc(N2CCC(O)CC2)ncc1C(=O)O.
What is the InChIKey of 6-(4-hydroxypiperidin-1-yl)-4-(2-methylphenyl)pyridine-3-carboxylic acid?
The InChIKey is ORECJOQZSCZQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-12-4-2-3-5-14(12)15-10-17(19-11-16(15)18(22)23)20-8-6-13(21)7-9-20/h2-5,10-11,13,21H,6-9H2,1H3,(H,22,23).
What are the key properties of 6-(4-hydroxypiperidin-1-yl)-4-(2-methylphenyl)pyridine-3-carboxylic acid?
6-(4-hydroxypiperidin-1-yl)-4-(2-methylphenyl)pyridine-3-carboxylic acid has a molecular weight of 312.37 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-hydroxypiperidin-1-yl)-4-(2-methylphenyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 22992324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).