2,2,5-trimethylpiperidin-3-one

C8H15NO — CID 551506

IUPAC2,2,5-trimethylpiperidin-3-one
SMILESCC1CNC(C)(C)C(=O)C1
InChIInChI=1S/C8H15NO/c1-6-4-7(10)8(2,3)9-5-6/h6,9H,4-5H2,1-3H3
InChIKeyPGAQZIHGDJNNQZ-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.96
Rot. Bonds

About 2,2,5-trimethylpiperidin-3-one

2,2,5-trimethylpiperidin-3-one (PubChem CID 551506) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2,2,5-trimethylpiperidin-3-one.

Molecular Properties

Compound Name2,2,5-trimethylpiperidin-3-one
PubChem CID551506
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2,2,5-trimethylpiperidin-3-one
SMILESCC1CNC(C)(C)C(=O)C1
InChIInChI=1S/C8H15NO/c1-6-4-7(10)8(2,3)9-5-6/h6,9H,4-5H2,1-3H3
InChIKeyPGAQZIHGDJNNQZ-UHFFFAOYSA-N
XLogP0.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,5-trimethylpiperidin-3-one?
The IUPAC name of 2,2,5-trimethylpiperidin-3-one (CID 551506) is 2,2,5-trimethylpiperidin-3-one.
What is the SMILES notation for 2,2,5-trimethylpiperidin-3-one?
The canonical SMILES for 2,2,5-trimethylpiperidin-3-one is CC1CNC(C)(C)C(=O)C1.
What is the InChIKey of 2,2,5-trimethylpiperidin-3-one?
The InChIKey is PGAQZIHGDJNNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-6-4-7(10)8(2,3)9-5-6/h6,9H,4-5H2,1-3H3.
What are the key properties of 2,2,5-trimethylpiperidin-3-one?
2,2,5-trimethylpiperidin-3-one has a molecular weight of 141.21 g/mol, XLogP of 0.96, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5-trimethylpiperidin-3-one is sourced from PubChem (CID 551506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).