2-piperidin-1-ylpyridine-3-carboxylic acid

C11H14N2O2 — CID 2794673

IUPAC2-piperidin-1-ylpyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1N1CCCCC1
InChIInChI=1S/C11H14N2O2/c14-11(15)9-5-4-6-12-10(9)13-7-2-1-3-8-13/h4-6H,1-3,7-8H2,(H,14,15)
InChIKeyYNZJJMDTAFCBGO-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.77
Rot. Bonds2

About 2-piperidin-1-ylpyridine-3-carboxylic acid

2-piperidin-1-ylpyridine-3-carboxylic acid (PubChem CID 2794673) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 2-piperidin-1-ylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-piperidin-1-ylpyridine-3-carboxylic acid
PubChem CID2794673
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name2-piperidin-1-ylpyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1N1CCCCC1
InChIInChI=1S/C11H14N2O2/c14-11(15)9-5-4-6-12-10(9)13-7-2-1-3-8-13/h4-6H,1-3,7-8H2,(H,14,15)
InChIKeyYNZJJMDTAFCBGO-UHFFFAOYSA-N
XLogP1.77
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ylpyridine-3-carboxylic acid?
The IUPAC name of 2-piperidin-1-ylpyridine-3-carboxylic acid (CID 2794673) is 2-piperidin-1-ylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-piperidin-1-ylpyridine-3-carboxylic acid?
The canonical SMILES for 2-piperidin-1-ylpyridine-3-carboxylic acid is O=C(O)c1cccnc1N1CCCCC1.
What is the InChIKey of 2-piperidin-1-ylpyridine-3-carboxylic acid?
The InChIKey is YNZJJMDTAFCBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c14-11(15)9-5-4-6-12-10(9)13-7-2-1-3-8-13/h4-6H,1-3,7-8H2,(H,14,15).
What are the key properties of 2-piperidin-1-ylpyridine-3-carboxylic acid?
2-piperidin-1-ylpyridine-3-carboxylic acid has a molecular weight of 206.25 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ylpyridine-3-carboxylic acid is sourced from PubChem (CID 2794673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).