4-ethyl-1-(2-pyridin-2-ylethyl)piperidine-4-carboxylic acid

C15H22N2O2 — CID 55179316

IUPAC4-ethyl-1-(2-pyridin-2-ylethyl)piperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(CCc2ccccn2)CC1
InChIInChI=1S/C15H22N2O2/c1-2-15(14(18)19)7-11-17(12-8-15)10-6-13-5-3-4-9-16-13/h3-5,9H,2,6-8,10-12H2,1H3,(H,18,19)
InChIKeyYFUVAPWCWWYPSL-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.20
Rot. Bonds5

About 4-ethyl-1-(2-pyridin-2-ylethyl)piperidine-4-carboxylic acid

4-ethyl-1-(2-pyridin-2-ylethyl)piperidine-4-carboxylic acid (PubChem CID 55179316) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 4-ethyl-1-(2-pyridin-2-ylethyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-(2-pyridin-2-ylethyl)piperidine-4-carboxylic acid
PubChem CID55179316
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name4-ethyl-1-(2-pyridin-2-ylethyl)piperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(CCc2ccccn2)CC1
InChIInChI=1S/C15H22N2O2/c1-2-15(14(18)19)7-11-17(12-8-15)10-6-13-5-3-4-9-16-13/h3-5,9H,2,6-8,10-12H2,1H3,(H,18,19)
InChIKeyYFUVAPWCWWYPSL-UHFFFAOYSA-N
XLogP2.20
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-(2-pyridin-2-ylethyl)piperidin-4-ol
CID 80702351
2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]propanoic acid
CID 55057978
phenyl-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone
CID 2090123
(3S)-2-acetyl-8-(2-pyridin-2-ylethyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95873938
1-(2-pyridin-2-ylethyl)cyclopentane-1-carboxylic acid
CID 79424921
methyl 1-(2-pyridin-2-ylethyl)piperidine-4-carboxylate
CID 60648150
4-benzyl-1-(2-phenylethyl)piperidine-4-carboxylic acid
CID 122657647
1-[4-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]phenyl]ethanone
CID 91843582
3-propyl-1-(2-pyridin-2-ylacetyl)pyrrolidine-3-carboxylic acid
CID 63145188
4-ethyl-1-(2-imidazol-1-ylethyl)piperidine-4-carboxylic acid
CID 63126519
2-(2-pyridin-2-ylethyl)-1,3-dihydroindene-2-carboxylic acid
CID 79428498
1-methyl-2-(3-pyridin-2-ylpropyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 71298904

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(2-pyridin-2-ylethyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-ethyl-1-(2-pyridin-2-ylethyl)piperidine-4-carboxylic acid (CID 55179316) is 4-ethyl-1-(2-pyridin-2-ylethyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-(2-pyridin-2-ylethyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-ethyl-1-(2-pyridin-2-ylethyl)piperidine-4-carboxylic acid is CCC1(C(=O)O)CCN(CCc2ccccn2)CC1.
What is the InChIKey of 4-ethyl-1-(2-pyridin-2-ylethyl)piperidine-4-carboxylic acid?
The InChIKey is YFUVAPWCWWYPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-2-15(14(18)19)7-11-17(12-8-15)10-6-13-5-3-4-9-16-13/h3-5,9H,2,6-8,10-12H2,1H3,(H,18,19).
What are the key properties of 4-ethyl-1-(2-pyridin-2-ylethyl)piperidine-4-carboxylic acid?
4-ethyl-1-(2-pyridin-2-ylethyl)piperidine-4-carboxylic acid has a molecular weight of 262.35 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(2-pyridin-2-ylethyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 55179316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).