1-piperidin-1-ium-2-ylpropan-1-one

C8H16NO+ — CID 25200953

IUPAC1-piperidin-1-ium-2-ylpropan-1-one
SMILESCCC(=O)C1CCCC[NH2+]1
InChIInChI=1S/C8H15NO/c1-2-8(10)7-5-3-4-6-9-7/h7,9H,2-6H2,1H3/p+1
InChIKeyFDOBDBWYWMTMKT-UHFFFAOYSA-O
MW142.22 g/mol
LogP0.08
Rot. Bonds2

About 1-piperidin-1-ium-2-ylpropan-1-one

1-piperidin-1-ium-2-ylpropan-1-one (PubChem CID 25200953) has the molecular formula C8H16NO+ and a molecular weight of 142.22 g/mol. Its IUPAC name is 1-piperidin-1-ium-2-ylpropan-1-one.

Molecular Properties

Compound Name1-piperidin-1-ium-2-ylpropan-1-one
PubChem CID25200953
Molecular FormulaC8H16NO+
Molecular Weight142.22 g/mol
Exact Mass142.12
IUPAC Name1-piperidin-1-ium-2-ylpropan-1-one
SMILESCCC(=O)C1CCCC[NH2+]1
InChIInChI=1S/C8H15NO/c1-2-8(10)7-5-3-4-6-9-7/h7,9H,2-6H2,1H3/p+1
InChIKeyFDOBDBWYWMTMKT-UHFFFAOYSA-O
XLogP0.08
TPSA33.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.22
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-piperidin-1-ium-2-ylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-ium-2-ylpropan-1-one?
The IUPAC name of 1-piperidin-1-ium-2-ylpropan-1-one (CID 25200953) is 1-piperidin-1-ium-2-ylpropan-1-one.
What is the SMILES notation for 1-piperidin-1-ium-2-ylpropan-1-one?
The canonical SMILES for 1-piperidin-1-ium-2-ylpropan-1-one is CCC(=O)C1CCCC[NH2+]1.
What is the InChIKey of 1-piperidin-1-ium-2-ylpropan-1-one?
The InChIKey is FDOBDBWYWMTMKT-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H15NO/c1-2-8(10)7-5-3-4-6-9-7/h7,9H,2-6H2,1H3/p+1.
What are the key properties of 1-piperidin-1-ium-2-ylpropan-1-one?
1-piperidin-1-ium-2-ylpropan-1-one has a molecular weight of 142.22 g/mol, XLogP of 0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-ium-2-ylpropan-1-one is sourced from PubChem (CID 25200953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).