2-propan-2-ylpiperidin-1-ium-4-one

C8H16NO+ — CID 22298279

IUPAC2-propan-2-ylpiperidin-1-ium-4-one
SMILESCC(C)C1CC(=O)CC[NH2+]1
InChIInChI=1S/C8H15NO/c1-6(2)8-5-7(10)3-4-9-8/h6,8-9H,3-5H2,1-2H3/p+1
InChIKeyXIZBDGDHOCXWOJ-UHFFFAOYSA-O
MW142.22 g/mol
LogP-0.06
Rot. Bonds1

About 2-propan-2-ylpiperidin-1-ium-4-one

2-propan-2-ylpiperidin-1-ium-4-one (PubChem CID 22298279) has the molecular formula C8H16NO+ and a molecular weight of 142.22 g/mol. Its IUPAC name is 2-propan-2-ylpiperidin-1-ium-4-one.

Molecular Properties

Compound Name2-propan-2-ylpiperidin-1-ium-4-one
PubChem CID22298279
Molecular FormulaC8H16NO+
Molecular Weight142.22 g/mol
Exact Mass142.12
IUPAC Name2-propan-2-ylpiperidin-1-ium-4-one
SMILESCC(C)C1CC(=O)CC[NH2+]1
InChIInChI=1S/C8H15NO/c1-6(2)8-5-7(10)3-4-9-8/h6,8-9H,3-5H2,1-2H3/p+1
InChIKeyXIZBDGDHOCXWOJ-UHFFFAOYSA-O
XLogP-0.06
TPSA33.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.22
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylpiperidin-1-ium-4-one?
The IUPAC name of 2-propan-2-ylpiperidin-1-ium-4-one (CID 22298279) is 2-propan-2-ylpiperidin-1-ium-4-one.
What is the SMILES notation for 2-propan-2-ylpiperidin-1-ium-4-one?
The canonical SMILES for 2-propan-2-ylpiperidin-1-ium-4-one is CC(C)C1CC(=O)CC[NH2+]1.
What is the InChIKey of 2-propan-2-ylpiperidin-1-ium-4-one?
The InChIKey is XIZBDGDHOCXWOJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H15NO/c1-6(2)8-5-7(10)3-4-9-8/h6,8-9H,3-5H2,1-2H3/p+1.
What are the key properties of 2-propan-2-ylpiperidin-1-ium-4-one?
2-propan-2-ylpiperidin-1-ium-4-one has a molecular weight of 142.22 g/mol, XLogP of -0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylpiperidin-1-ium-4-one is sourced from PubChem (CID 22298279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).