2-(3-ethylpiperidin-1-yl)pyridine-3-carboxylic acid

C13H18N2O2 — CID 43430341

IUPAC2-(3-ethylpiperidin-1-yl)pyridine-3-carboxylic acid
SMILESCCC1CCCN(c2ncccc2C(=O)O)C1
InChIInChI=1S/C13H18N2O2/c1-2-10-5-4-8-15(9-10)12-11(13(16)17)6-3-7-14-12/h3,6-7,10H,2,4-5,8-9H2,1H3,(H,16,17)
InChIKeyFVFFXCZJWKUFCU-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.41
Rot. Bonds3

About 2-(3-ethylpiperidin-1-yl)pyridine-3-carboxylic acid

2-(3-ethylpiperidin-1-yl)pyridine-3-carboxylic acid (PubChem CID 43430341) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-(3-ethylpiperidin-1-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(3-ethylpiperidin-1-yl)pyridine-3-carboxylic acid
PubChem CID43430341
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-(3-ethylpiperidin-1-yl)pyridine-3-carboxylic acid
SMILESCCC1CCCN(c2ncccc2C(=O)O)C1
InChIInChI=1S/C13H18N2O2/c1-2-10-5-4-8-15(9-10)12-11(13(16)17)6-3-7-14-12/h3,6-7,10H,2,4-5,8-9H2,1H3,(H,16,17)
InChIKeyFVFFXCZJWKUFCU-UHFFFAOYSA-N
XLogP2.41
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 43403358
2-(3-aminopiperidin-1-yl)pyridine-3-carboxylic acid
CID 61403945
[2-(3-ethylpiperidin-1-yl)-3-pyridinyl]methanol
CID 61256468
2-[(3R)-3-(fluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 129496225
2-[(3S)-3-(fluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 129496223
2-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 2794739
2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-N-propylpyridine-3-carboxamide
CID 39834364
(1R)-1-[2-(3-ethylpiperidin-1-yl)-3-pyridinyl]ethanamine
CID 114055863
2-(2-ethylmorpholin-4-yl)pyridine-3-carboxylic acid
CID 43420791
2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyridine-3-carboxamide
CID 63241496
2-(3,4-dimethylpyrrolidin-1-yl)pyridine-3-carboxylic acid
CID 79181220
2-(4-hydroxy-3-methylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 114678869

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylpiperidin-1-yl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(3-ethylpiperidin-1-yl)pyridine-3-carboxylic acid (CID 43430341) is 2-(3-ethylpiperidin-1-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(3-ethylpiperidin-1-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(3-ethylpiperidin-1-yl)pyridine-3-carboxylic acid is CCC1CCCN(c2ncccc2C(=O)O)C1.
What is the InChIKey of 2-(3-ethylpiperidin-1-yl)pyridine-3-carboxylic acid?
The InChIKey is FVFFXCZJWKUFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-2-10-5-4-8-15(9-10)12-11(13(16)17)6-3-7-14-12/h3,6-7,10H,2,4-5,8-9H2,1H3,(H,16,17).
What are the key properties of 2-(3-ethylpiperidin-1-yl)pyridine-3-carboxylic acid?
2-(3-ethylpiperidin-1-yl)pyridine-3-carboxylic acid has a molecular weight of 234.30 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylpiperidin-1-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 43430341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).