3-hydroxy-4-pyridin-3-ylpiperidine-1-carboxylic acid

C11H14N2O3 — CID 22126635

IUPAC3-hydroxy-4-pyridin-3-ylpiperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(c2cccnc2)C(O)C1
InChIInChI=1S/C11H14N2O3/c14-10-7-13(11(15)16)5-3-9(10)8-2-1-4-12-6-8/h1-2,4,6,9-10,14H,3,5,7H2,(H,15,16)
InChIKeyWBCFQGQQFFMERV-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.91
Rot. Bonds1

About 3-hydroxy-4-pyridin-3-ylpiperidine-1-carboxylic acid

3-hydroxy-4-pyridin-3-ylpiperidine-1-carboxylic acid (PubChem CID 22126635) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 3-hydroxy-4-pyridin-3-ylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-4-pyridin-3-ylpiperidine-1-carboxylic acid
PubChem CID22126635
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name3-hydroxy-4-pyridin-3-ylpiperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(c2cccnc2)C(O)C1
InChIInChI=1S/C11H14N2O3/c14-10-7-13(11(15)16)5-3-9(10)8-2-1-4-12-6-8/h1-2,4,6,9-10,14H,3,5,7H2,(H,15,16)
InChIKeyWBCFQGQQFFMERV-UHFFFAOYSA-N
XLogP0.91
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-pyridin-3-ylpiperidine-1-carboxylic acid?
The IUPAC name of 3-hydroxy-4-pyridin-3-ylpiperidine-1-carboxylic acid (CID 22126635) is 3-hydroxy-4-pyridin-3-ylpiperidine-1-carboxylic acid.
What is the SMILES notation for 3-hydroxy-4-pyridin-3-ylpiperidine-1-carboxylic acid?
The canonical SMILES for 3-hydroxy-4-pyridin-3-ylpiperidine-1-carboxylic acid is O=C(O)N1CCC(c2cccnc2)C(O)C1.
What is the InChIKey of 3-hydroxy-4-pyridin-3-ylpiperidine-1-carboxylic acid?
The InChIKey is WBCFQGQQFFMERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c14-10-7-13(11(15)16)5-3-9(10)8-2-1-4-12-6-8/h1-2,4,6,9-10,14H,3,5,7H2,(H,15,16).
What are the key properties of 3-hydroxy-4-pyridin-3-ylpiperidine-1-carboxylic acid?
3-hydroxy-4-pyridin-3-ylpiperidine-1-carboxylic acid has a molecular weight of 222.24 g/mol, XLogP of 0.91, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-pyridin-3-ylpiperidine-1-carboxylic acid is sourced from PubChem (CID 22126635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).