4-(2-ethylpiperidin-1-yl)butanoic acid

C11H21NO2 — CID 22683286

IUPAC4-(2-ethylpiperidin-1-yl)butanoic acid
SMILESCCC1CCCCN1CCCC(=O)O
InChIInChI=1S/C11H21NO2/c1-2-10-6-3-4-8-12(10)9-5-7-11(13)14/h10H,2-9H2,1H3,(H,13,14)
InChIKeyJMNMLVQNAZLNKQ-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.12
Rot. Bonds5

About 4-(2-ethylpiperidin-1-yl)butanoic acid

4-(2-ethylpiperidin-1-yl)butanoic acid (PubChem CID 22683286) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 4-(2-ethylpiperidin-1-yl)butanoic acid.

Molecular Properties

Compound Name4-(2-ethylpiperidin-1-yl)butanoic acid
PubChem CID22683286
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name4-(2-ethylpiperidin-1-yl)butanoic acid
SMILESCCC1CCCCN1CCCC(=O)O
InChIInChI=1S/C11H21NO2/c1-2-10-6-3-4-8-12(10)9-5-7-11(13)14/h10H,2-9H2,1H3,(H,13,14)
InChIKeyJMNMLVQNAZLNKQ-UHFFFAOYSA-N
XLogP2.12
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Butyric acid, 4-piperidino-
CID 20794
4-(Piperidin-1-yl)butanoic acid hydrochloride
CID 13172081
4-(2-Methylpiperidin-1-yl)pentanoic acid--hydrogen chloride (1/1)
CID 113719
1-Isopropylpiperidine-4-Carboxylic Acid
CID 6484187
1-(Propan-2-yl)piperidine-4-carboxylic acid hydrochloride
CID 45075031
1-Methyl-2-piperidinepropanoic acid
CID 45791119
3-(2-Methylpiperidin-1-yl)propanoic acid
CID 3157941
3-(1-Methylpiperidin-2-yl)propanoic acid hydrochloride
CID 75525929
4-(2,6-Dimethylpiperidin-1-yl)-4-oxo-butyric acid
CID 3102906
3-(1-Piperidinyl)butanoic acid
CID 10512494
4-[(2R)-2-(3-methylbutyl)piperidin-1-yl]butanoic acid
CID 124575065
Methyl 4-(2-methylpiperidin-1-yl)butanoate
CID 44856

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylpiperidin-1-yl)butanoic acid?
The IUPAC name of 4-(2-ethylpiperidin-1-yl)butanoic acid (CID 22683286) is 4-(2-ethylpiperidin-1-yl)butanoic acid.
What is the SMILES notation for 4-(2-ethylpiperidin-1-yl)butanoic acid?
The canonical SMILES for 4-(2-ethylpiperidin-1-yl)butanoic acid is CCC1CCCCN1CCCC(=O)O.
What is the InChIKey of 4-(2-ethylpiperidin-1-yl)butanoic acid?
The InChIKey is JMNMLVQNAZLNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-2-10-6-3-4-8-12(10)9-5-7-11(13)14/h10H,2-9H2,1H3,(H,13,14).
What are the key properties of 4-(2-ethylpiperidin-1-yl)butanoic acid?
4-(2-ethylpiperidin-1-yl)butanoic acid has a molecular weight of 199.29 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylpiperidin-1-yl)butanoic acid is sourced from PubChem (CID 22683286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).