2-pyridin-3-ylpiperidine-3-carboxylic acid

C11H14N2O2 — CID 83916473

IUPAC2-pyridin-3-ylpiperidine-3-carboxylic acid
SMILESO=C(O)C1CCCNC1c1cccnc1
InChIInChI=1S/C11H14N2O2/c14-11(15)9-4-2-6-13-10(9)8-3-1-5-12-7-8/h1,3,5,7,9-10,13H,2,4,6H2,(H,14,15)
InChIKeyDHXXEQJZBUTKHL-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.21
Rot. Bonds2

About 2-pyridin-3-ylpiperidine-3-carboxylic acid

2-pyridin-3-ylpiperidine-3-carboxylic acid (PubChem CID 83916473) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 2-pyridin-3-ylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name2-pyridin-3-ylpiperidine-3-carboxylic acid
PubChem CID83916473
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name2-pyridin-3-ylpiperidine-3-carboxylic acid
SMILESO=C(O)C1CCCNC1c1cccnc1
InChIInChI=1S/C11H14N2O2/c14-11(15)9-4-2-6-13-10(9)8-3-1-5-12-7-8/h1,3,5,7,9-10,13H,2,4,6H2,(H,14,15)
InChIKeyDHXXEQJZBUTKHL-UHFFFAOYSA-N
XLogP1.21
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3R)-2-pyridin-3-ylpyrrolidine-3-carboxylic acid
CID 67757979
oxalic acid;3-pyrrolidin-2-ylpyridine
CID 45156454
acetic acid;3-piperidin-2-ylpyridine
CID 175134059
tert-butyl-diphenyl-[(2R,3S)-2-pyridin-3-ylpiperidin-3-yl]oxysilane
CID 71485535
2-thiophen-2-ylpiperidine-3-carboxylic acid
CID 112716942
4-pyridin-3-ylazepane
CID 83262248
4-pyridin-3-ylcyclohexane-1-carboxylic acid
CID 82282997
(2S,5R)-5-pyridin-3-ylpyrrolidine-2-carboxylic acid;dihydrochloride
CID 154577262
3-pyrrolidin-3-ylpyridine
CID 3613651
(E)-but-2-enedioic acid;3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
CID 67586557
3-piperidin-4-ylpyridine;dihydrochloride
CID 21192973
3-[(2S)-aziridin-2-yl]pyridine
CID 55263397

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-ylpiperidine-3-carboxylic acid?
The IUPAC name of 2-pyridin-3-ylpiperidine-3-carboxylic acid (CID 83916473) is 2-pyridin-3-ylpiperidine-3-carboxylic acid.
What is the SMILES notation for 2-pyridin-3-ylpiperidine-3-carboxylic acid?
The canonical SMILES for 2-pyridin-3-ylpiperidine-3-carboxylic acid is O=C(O)C1CCCNC1c1cccnc1.
What is the InChIKey of 2-pyridin-3-ylpiperidine-3-carboxylic acid?
The InChIKey is DHXXEQJZBUTKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c14-11(15)9-4-2-6-13-10(9)8-3-1-5-12-7-8/h1,3,5,7,9-10,13H,2,4,6H2,(H,14,15).
What are the key properties of 2-pyridin-3-ylpiperidine-3-carboxylic acid?
2-pyridin-3-ylpiperidine-3-carboxylic acid has a molecular weight of 206.25 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-ylpiperidine-3-carboxylic acid is sourced from PubChem (CID 83916473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).