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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Related Compounds

(5S)-5-methylpyrrolidin-2-one
CID 7458701
(2R)-2-methylpyrrolidin-3-one
CID 67533631
(5S)-5-methylpyrrolidin-2-one;hydrochloride
CID 69463924
5-methylpyrrolidin-2-one;hydrate
CID 142802417
(1R,5R,7R)-7-methylbicyclo[3.2.0]heptan-2-one
CID 129321356
(2S)-2,5-dimethylpyrrolidine;ethane
CID 177006469
(5R)-5-methylpyrrolidine-2,4-dione
CID 98474157
(8S,12S,16S)-4,8,12,16-tetramethyl-1,5,9,13-tetrazacyclohexadecane-2,6,10,14-tetrone
CID 177427940
2-methanidyl-3-methylcyclopentan-1-one;uranium
CID 59889972
(1S,5R,6S)-6-methylbicyclo[3.1.0]hexan-2-one
CID 58906730
(3aS,3bR,6aS,7aR)-7-methyl-3,3a,3b,4,5,6a,7,7a-octahydro-2H-cyclopenta[a]pentalene-1,6-dione
CID 12882597
2-methyl-1,2,3,4-tetrahydroazepin-5-one
CID 55286646

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).