2-pyridin-3-ylpiperidine-1-carboxylic acid

C11H14N2O2 — CID 67067085

IUPAC2-pyridin-3-ylpiperidine-1-carboxylic acid
SMILESO=C(O)N1CCCCC1c1cccnc1
InChIInChI=1S/C11H14N2O2/c14-11(15)13-7-2-1-5-10(13)9-4-3-6-12-8-9/h3-4,6,8,10H,1-2,5,7H2,(H,14,15)
InChIKeyMLJRAIGRRBANKQ-UHFFFAOYSA-N
MW206.25 g/mol
LogP2.29
Rot. Bonds1

About 2-pyridin-3-ylpiperidine-1-carboxylic acid

2-pyridin-3-ylpiperidine-1-carboxylic acid (PubChem CID 67067085) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 2-pyridin-3-ylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name2-pyridin-3-ylpiperidine-1-carboxylic acid
PubChem CID67067085
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name2-pyridin-3-ylpiperidine-1-carboxylic acid
SMILESO=C(O)N1CCCCC1c1cccnc1
InChIInChI=1S/C11H14N2O2/c14-11(15)13-7-2-1-5-10(13)9-4-3-6-12-8-9/h3-4,6,8,10H,1-2,5,7H2,(H,14,15)
InChIKeyMLJRAIGRRBANKQ-UHFFFAOYSA-N
XLogP2.29
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-oxo-4-(2-pyridin-3-ylpiperidin-1-yl)butanoic acid;hydrochloride
CID 52993705
(2R)-2-pyridazin-4-ylpiperidine-1-carboxylic acid
CID 135283972
morpholin-4-yl-(2-pyridin-3-ylpiperidin-1-yl)methanone
CID 3810055
(E)-4-oxo-4-(2-pyridin-3-ylpyrrolidin-1-yl)but-2-enoic acid
CID 43578410
1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]pentan-1-one
CID 3046833
2-chloro-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]ethanone
CID 14619396
(2-pyridin-3-ylpyrrolidin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 136529691
[(2S)-2-pyridin-3-ylpiperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 97193301
3-(1-methylpyrrolidin-2-yl)pyridine;oxalic acid
CID 159143425
carbonic acid;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 175253696
[(2S)-2-pyridin-3-ylpiperidin-1-yl]-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methanone
CID 125122675
(5-phenyl-1,2-oxazol-3-yl)-[(2R)-2-pyridin-3-ylpiperidin-1-yl]methanone
CID 95708141

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-ylpiperidine-1-carboxylic acid?
The IUPAC name of 2-pyridin-3-ylpiperidine-1-carboxylic acid (CID 67067085) is 2-pyridin-3-ylpiperidine-1-carboxylic acid.
What is the SMILES notation for 2-pyridin-3-ylpiperidine-1-carboxylic acid?
The canonical SMILES for 2-pyridin-3-ylpiperidine-1-carboxylic acid is O=C(O)N1CCCCC1c1cccnc1.
What is the InChIKey of 2-pyridin-3-ylpiperidine-1-carboxylic acid?
The InChIKey is MLJRAIGRRBANKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c14-11(15)13-7-2-1-5-10(13)9-4-3-6-12-8-9/h3-4,6,8,10H,1-2,5,7H2,(H,14,15).
What are the key properties of 2-pyridin-3-ylpiperidine-1-carboxylic acid?
2-pyridin-3-ylpiperidine-1-carboxylic acid has a molecular weight of 206.25 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-ylpiperidine-1-carboxylic acid is sourced from PubChem (CID 67067085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).