1-ethenylpiperidine-4-carboxylic acid

C8H13NO2 — CID 59324469

IUPAC1-ethenylpiperidine-4-carboxylic acid
SMILESC=CN1CCC(C(=O)O)CC1
InChIInChI=1S/C8H13NO2/c1-2-9-5-3-7(4-6-9)8(10)11/h2,7H,1,3-6H2,(H,10,11)
InChIKeyWNRCVIGXIXXJGN-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.93
Rot. Bonds2

About 1-ethenylpiperidine-4-carboxylic acid

1-ethenylpiperidine-4-carboxylic acid (PubChem CID 59324469) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 1-ethenylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-ethenylpiperidine-4-carboxylic acid
PubChem CID59324469
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name1-ethenylpiperidine-4-carboxylic acid
SMILESC=CN1CCC(C(=O)O)CC1
InChIInChI=1S/C8H13NO2/c1-2-9-5-3-7(4-6-9)8(10)11/h2,7H,1,3-6H2,(H,10,11)
InChIKeyWNRCVIGXIXXJGN-UHFFFAOYSA-N
XLogP0.93
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethenylpiperidine-4-carboxylic acid?
The IUPAC name of 1-ethenylpiperidine-4-carboxylic acid (CID 59324469) is 1-ethenylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-ethenylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-ethenylpiperidine-4-carboxylic acid is C=CN1CCC(C(=O)O)CC1.
What is the InChIKey of 1-ethenylpiperidine-4-carboxylic acid?
The InChIKey is WNRCVIGXIXXJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-2-9-5-3-7(4-6-9)8(10)11/h2,7H,1,3-6H2,(H,10,11).
What are the key properties of 1-ethenylpiperidine-4-carboxylic acid?
1-ethenylpiperidine-4-carboxylic acid has a molecular weight of 155.20 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylpiperidine-4-carboxylic acid is sourced from PubChem (CID 59324469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).