2-piperidin-1-ium-1-ylidenepropanoic acid

C8H14NO2+ — CID 23108259

IUPAC2-piperidin-1-ium-1-ylidenepropanoic acid
SMILESCC(C(=O)O)=[N+]1CCCCC1
InChIInChI=1S/C8H13NO2/c1-7(8(10)11)9-5-3-2-4-6-9/h2-6H2,1H3/p+1
InChIKeyGLXOQKCBZYIIFD-UHFFFAOYSA-O
MW156.21 g/mol
LogP0.73
Rot. Bonds1

About 2-piperidin-1-ium-1-ylidenepropanoic acid

2-piperidin-1-ium-1-ylidenepropanoic acid (PubChem CID 23108259) has the molecular formula C8H14NO2+ and a molecular weight of 156.21 g/mol. Its IUPAC name is 2-piperidin-1-ium-1-ylidenepropanoic acid.

Molecular Properties

Compound Name2-piperidin-1-ium-1-ylidenepropanoic acid
PubChem CID23108259
Molecular FormulaC8H14NO2+
Molecular Weight156.21 g/mol
Exact Mass156.10
IUPAC Name2-piperidin-1-ium-1-ylidenepropanoic acid
SMILESCC(C(=O)O)=[N+]1CCCCC1
InChIInChI=1S/C8H13NO2/c1-7(8(10)11)9-5-3-2-4-6-9/h2-6H2,1H3/p+1
InChIKeyGLXOQKCBZYIIFD-UHFFFAOYSA-O
XLogP0.73
TPSA40.31 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-propan-2-ylidenepyrrolidin-1-ium
CID 13062561
acetic acid;cyclobutane;phosphane
CID 174489906
cyclohexane;2-methylprop-2-enoic acid
CID 66795649
cyclohexane;ethane;bis(propan-2-one)
CID 160732509
carbonic acid;cyclohexane
CID 66586496
carbonic acid;cyclopentane
CID 121364221
tris(cyclodecane);methanol;2-methylbut-2-enoic acid
CID 174470242
cyclodecane;methanol;2-methylbut-2-enoic acid
CID 174824435
cyclobutane;methoxymethane;bis(2-methylprop-2-enoic acid)
CID 68948425
acetamide;cyclopentane
CID 67941075
ethyl 2-(1-piperidin-1-ium-1-ylideneethylsulfanyl)acetate
CID 14294069
manganese(2+);2-oxopropanoic acid
CID 162367990

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ium-1-ylidenepropanoic acid?
The IUPAC name of 2-piperidin-1-ium-1-ylidenepropanoic acid (CID 23108259) is 2-piperidin-1-ium-1-ylidenepropanoic acid.
What is the SMILES notation for 2-piperidin-1-ium-1-ylidenepropanoic acid?
The canonical SMILES for 2-piperidin-1-ium-1-ylidenepropanoic acid is CC(C(=O)O)=[N+]1CCCCC1.
What is the InChIKey of 2-piperidin-1-ium-1-ylidenepropanoic acid?
The InChIKey is GLXOQKCBZYIIFD-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H13NO2/c1-7(8(10)11)9-5-3-2-4-6-9/h2-6H2,1H3/p+1.
What are the key properties of 2-piperidin-1-ium-1-ylidenepropanoic acid?
2-piperidin-1-ium-1-ylidenepropanoic acid has a molecular weight of 156.21 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ium-1-ylidenepropanoic acid is sourced from PubChem (CID 23108259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).