1,2,5-trimethylpiperidin-3-one

C8H15NO — CID 4037314

IUPAC1,2,5-trimethylpiperidin-3-one
SMILESCC1CC(=O)C(C)N(C)C1
InChIInChI=1S/C8H15NO/c1-6-4-8(10)7(2)9(3)5-6/h6-7H,4-5H2,1-3H3
InChIKeyGRWGTAUEYJUECS-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.92
Rot. Bonds

About 1,2,5-trimethylpiperidin-3-one

1,2,5-trimethylpiperidin-3-one (PubChem CID 4037314) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 1,2,5-trimethylpiperidin-3-one.

Molecular Properties

Compound Name1,2,5-trimethylpiperidin-3-one
PubChem CID4037314
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name1,2,5-trimethylpiperidin-3-one
SMILESCC1CC(=O)C(C)N(C)C1
InChIInChI=1S/C8H15NO/c1-6-4-8(10)7(2)9(3)5-6/h6-7H,4-5H2,1-3H3
InChIKeyGRWGTAUEYJUECS-UHFFFAOYSA-N
XLogP0.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,5-trimethylpiperidin-3-one?
The IUPAC name of 1,2,5-trimethylpiperidin-3-one (CID 4037314) is 1,2,5-trimethylpiperidin-3-one.
What is the SMILES notation for 1,2,5-trimethylpiperidin-3-one?
The canonical SMILES for 1,2,5-trimethylpiperidin-3-one is CC1CC(=O)C(C)N(C)C1.
What is the InChIKey of 1,2,5-trimethylpiperidin-3-one?
The InChIKey is GRWGTAUEYJUECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-6-4-8(10)7(2)9(3)5-6/h6-7H,4-5H2,1-3H3.
What are the key properties of 1,2,5-trimethylpiperidin-3-one?
1,2,5-trimethylpiperidin-3-one has a molecular weight of 141.21 g/mol, XLogP of 0.92, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5-trimethylpiperidin-3-one is sourced from PubChem (CID 4037314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).