1-ethylpiperidine-2-carboxylic acid

C8H15NO2 — CID 22016545

IUPAC1-ethylpiperidine-2-carboxylic acid
SMILESCCN1CCCCC1C(=O)O
InChIInChI=1S/C8H15NO2/c1-2-9-6-4-3-5-7(9)8(10)11/h7H,2-6H2,1H3,(H,10,11)
InChIKeyYTPIYJQYZRVUHW-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.95
Rot. Bonds2

About 1-ethylpiperidine-2-carboxylic acid

1-ethylpiperidine-2-carboxylic acid (PubChem CID 22016545) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 1-ethylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-ethylpiperidine-2-carboxylic acid
PubChem CID22016545
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name1-ethylpiperidine-2-carboxylic acid
SMILESCCN1CCCCC1C(=O)O
InChIInChI=1S/C8H15NO2/c1-2-9-6-4-3-5-7(9)8(10)11/h7H,2-6H2,1H3,(H,10,11)
InChIKeyYTPIYJQYZRVUHW-UHFFFAOYSA-N
XLogP0.95
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 ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethylpiperidine-2-carboxylic acid?
The IUPAC name of 1-ethylpiperidine-2-carboxylic acid (CID 22016545) is 1-ethylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-ethylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-ethylpiperidine-2-carboxylic acid is CCN1CCCCC1C(=O)O.
What is the InChIKey of 1-ethylpiperidine-2-carboxylic acid?
The InChIKey is YTPIYJQYZRVUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-2-9-6-4-3-5-7(9)8(10)11/h7H,2-6H2,1H3,(H,10,11).
What are the key properties of 1-ethylpiperidine-2-carboxylic acid?
1-ethylpiperidine-2-carboxylic acid has a molecular weight of 157.21 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylpiperidine-2-carboxylic acid is sourced from PubChem (CID 22016545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).