1-ethylpiperidine-3-carboxylic acid

C8H15NO2 — CID 22056640

IUPAC1-ethylpiperidine-3-carboxylic acid
SMILESCCN1CCCC(C(=O)O)C1
InChIInChI=1S/C8H15NO2/c1-2-9-5-3-4-7(6-9)8(10)11/h7H,2-6H2,1H3,(H,10,11)
InChIKeyAUAARCSKNLPQTM-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.80
Rot. Bonds2

About 1-ethylpiperidine-3-carboxylic acid

1-ethylpiperidine-3-carboxylic acid (PubChem CID 22056640) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 1-ethylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-ethylpiperidine-3-carboxylic acid
PubChem CID22056640
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name1-ethylpiperidine-3-carboxylic acid
SMILESCCN1CCCC(C(=O)O)C1
InChIInChI=1S/C8H15NO2/c1-2-9-5-3-4-7(6-9)8(10)11/h7H,2-6H2,1H3,(H,10,11)
InChIKeyAUAARCSKNLPQTM-UHFFFAOYSA-N
XLogP0.80
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethylpiperidine-3-carboxylic acid?
The IUPAC name of 1-ethylpiperidine-3-carboxylic acid (CID 22056640) is 1-ethylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-ethylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-ethylpiperidine-3-carboxylic acid is CCN1CCCC(C(=O)O)C1.
What is the InChIKey of 1-ethylpiperidine-3-carboxylic acid?
The InChIKey is AUAARCSKNLPQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-2-9-5-3-4-7(6-9)8(10)11/h7H,2-6H2,1H3,(H,10,11).
What are the key properties of 1-ethylpiperidine-3-carboxylic acid?
1-ethylpiperidine-3-carboxylic acid has a molecular weight of 157.21 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylpiperidine-3-carboxylic acid is sourced from PubChem (CID 22056640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).