3,3,5-trimethylpiperidin-4-one

C8H15NO — CID 22278876

IUPAC3,3,5-trimethylpiperidin-4-one
SMILESCC1CNCC(C)(C)C1=O
InChIInChI=1S/C8H15NO/c1-6-4-9-5-8(2,3)7(6)10/h6,9H,4-5H2,1-3H3
InChIKeyNJNYBVVRUJTWSO-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.82
Rot. Bonds

About 3,3,5-trimethylpiperidin-4-one

3,3,5-trimethylpiperidin-4-one (PubChem CID 22278876) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 3,3,5-trimethylpiperidin-4-one.

Molecular Properties

Compound Name3,3,5-trimethylpiperidin-4-one
PubChem CID22278876
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name3,3,5-trimethylpiperidin-4-one
SMILESCC1CNCC(C)(C)C1=O
InChIInChI=1S/C8H15NO/c1-6-4-9-5-8(2,3)7(6)10/h6,9H,4-5H2,1-3H3
InChIKeyNJNYBVVRUJTWSO-UHFFFAOYSA-N
XLogP0.82
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 ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,5-trimethylpiperidin-4-one?
The IUPAC name of 3,3,5-trimethylpiperidin-4-one (CID 22278876) is 3,3,5-trimethylpiperidin-4-one.
What is the SMILES notation for 3,3,5-trimethylpiperidin-4-one?
The canonical SMILES for 3,3,5-trimethylpiperidin-4-one is CC1CNCC(C)(C)C1=O.
What is the InChIKey of 3,3,5-trimethylpiperidin-4-one?
The InChIKey is NJNYBVVRUJTWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-6-4-9-5-8(2,3)7(6)10/h6,9H,4-5H2,1-3H3.
What are the key properties of 3,3,5-trimethylpiperidin-4-one?
3,3,5-trimethylpiperidin-4-one has a molecular weight of 141.21 g/mol, XLogP of 0.82, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5-trimethylpiperidin-4-one is sourced from PubChem (CID 22278876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).