2,6-dimethylpiperidin-3-one

C7H13NO — CID 22623666

IUPAC2,6-dimethylpiperidin-3-one
SMILESCC1CCC(=O)C(C)N1
InChIInChI=1S/C7H13NO/c1-5-3-4-7(9)6(2)8-5/h5-6,8H,3-4H2,1-2H3
InChIKeySZKYJGRAVJWKNC-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.72
Rot. Bonds

About 2,6-dimethylpiperidin-3-one

2,6-dimethylpiperidin-3-one (PubChem CID 22623666) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 2,6-dimethylpiperidin-3-one.

Molecular Properties

Compound Name2,6-dimethylpiperidin-3-one
PubChem CID22623666
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name2,6-dimethylpiperidin-3-one
SMILESCC1CCC(=O)C(C)N1
InChIInChI=1S/C7H13NO/c1-5-3-4-7(9)6(2)8-5/h5-6,8H,3-4H2,1-2H3
InChIKeySZKYJGRAVJWKNC-UHFFFAOYSA-N
XLogP0.72
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 ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethylpiperidin-3-one?
The IUPAC name of 2,6-dimethylpiperidin-3-one (CID 22623666) is 2,6-dimethylpiperidin-3-one.
What is the SMILES notation for 2,6-dimethylpiperidin-3-one?
The canonical SMILES for 2,6-dimethylpiperidin-3-one is CC1CCC(=O)C(C)N1.
What is the InChIKey of 2,6-dimethylpiperidin-3-one?
The InChIKey is SZKYJGRAVJWKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-5-3-4-7(9)6(2)8-5/h5-6,8H,3-4H2,1-2H3.
What are the key properties of 2,6-dimethylpiperidin-3-one?
2,6-dimethylpiperidin-3-one has a molecular weight of 127.19 g/mol, XLogP of 0.72, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylpiperidin-3-one is sourced from PubChem (CID 22623666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).