3,5-dimethylpiperidin-4-one

C7H13NO — CID 14984466

IUPAC3,5-dimethylpiperidin-4-one
SMILESCC1CNCC(C)C1=O
InChIInChI=1S/C7H13NO/c1-5-3-8-4-6(2)7(5)9/h5-6,8H,3-4H2,1-2H3
InChIKeyAMGHHWQPWHGXHB-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.43
Rot. Bonds

About 3,5-dimethylpiperidin-4-one

3,5-dimethylpiperidin-4-one (PubChem CID 14984466) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 3,5-dimethylpiperidin-4-one.

Molecular Properties

Compound Name3,5-dimethylpiperidin-4-one
PubChem CID14984466
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name3,5-dimethylpiperidin-4-one
SMILESCC1CNCC(C)C1=O
InChIInChI=1S/C7H13NO/c1-5-3-8-4-6(2)7(5)9/h5-6,8H,3-4H2,1-2H3
InChIKeyAMGHHWQPWHGXHB-UHFFFAOYSA-N
XLogP0.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethylpiperidin-4-one?
The IUPAC name of 3,5-dimethylpiperidin-4-one (CID 14984466) is 3,5-dimethylpiperidin-4-one.
What is the SMILES notation for 3,5-dimethylpiperidin-4-one?
The canonical SMILES for 3,5-dimethylpiperidin-4-one is CC1CNCC(C)C1=O.
What is the InChIKey of 3,5-dimethylpiperidin-4-one?
The InChIKey is AMGHHWQPWHGXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-5-3-8-4-6(2)7(5)9/h5-6,8H,3-4H2,1-2H3.
What are the key properties of 3,5-dimethylpiperidin-4-one?
3,5-dimethylpiperidin-4-one has a molecular weight of 127.19 g/mol, XLogP of 0.43, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethylpiperidin-4-one is sourced from PubChem (CID 14984466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).