1-fluoro-3,6-dimethylpiperidin-2-one

C7H12FNO — CID 152618779

IUPAC1-fluoro-3,6-dimethylpiperidin-2-one
SMILESCC1CCC(C)N(F)C1=O
InChIInChI=1S/C7H12FNO/c1-5-3-4-6(2)9(8)7(5)10/h5-6H,3-4H2,1-2H3
InChIKeyZBBSQCWIJSVSPZ-UHFFFAOYSA-N
MW145.18 g/mol
LogP1.52
Rot. Bonds

About 1-fluoro-3,6-dimethylpiperidin-2-one

1-fluoro-3,6-dimethylpiperidin-2-one (PubChem CID 152618779) has the molecular formula C7H12FNO and a molecular weight of 145.18 g/mol. Its IUPAC name is 1-fluoro-3,6-dimethylpiperidin-2-one.

Molecular Properties

Compound Name1-fluoro-3,6-dimethylpiperidin-2-one
PubChem CID152618779
Molecular FormulaC7H12FNO
Molecular Weight145.18 g/mol
Exact Mass145.09
IUPAC Name1-fluoro-3,6-dimethylpiperidin-2-one
SMILESCC1CCC(C)N(F)C1=O
InChIInChI=1S/C7H12FNO/c1-5-3-4-6(2)9(8)7(5)10/h5-6H,3-4H2,1-2H3
InChIKeyZBBSQCWIJSVSPZ-UHFFFAOYSA-N
XLogP1.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

1-fluoro-6-methylpiperidin-3-one
CID 174899087
tert-butyl (3R,6R)-3,6-dimethyl-2-oxopiperidine-1-carboxylate
CID 11736302
(3R)-1-iodo-3-methylpyrrolidin-2-one
CID 144527785
1,3-dimethylpyrrolidin-2-one;ethane
CID 142056309
(5R)-1-hydroxy-5-methylpyrrolidin-2-one
CID 56612622
(3S)-1,3-dimethylpyrrolidin-2-one;ethane
CID 144550831
1-iodo-6-methylpiperidin-2-one
CID 135233240
3-fluoro-1,5-dimethylpyrrolidin-2-one
CID 118331524
ethane;1-ethyl-3-methylpiperidine-2,6-dione
CID 177191793
(5R)-5-methyl-1-(methylamino)pyrrolidin-2-one
CID 148786842
1,3-dimethylimidazolidin-2-one;bis(1,3-dimethylpyrrolidin-2-one)
CID 160661672
(6R,8aS)-3,3,6-trimethyl-6,7,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridin-5-one
CID 15402243

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3,6-dimethylpiperidin-2-one?
The IUPAC name of 1-fluoro-3,6-dimethylpiperidin-2-one (CID 152618779) is 1-fluoro-3,6-dimethylpiperidin-2-one.
What is the SMILES notation for 1-fluoro-3,6-dimethylpiperidin-2-one?
The canonical SMILES for 1-fluoro-3,6-dimethylpiperidin-2-one is CC1CCC(C)N(F)C1=O.
What is the InChIKey of 1-fluoro-3,6-dimethylpiperidin-2-one?
The InChIKey is ZBBSQCWIJSVSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO/c1-5-3-4-6(2)9(8)7(5)10/h5-6H,3-4H2,1-2H3.
What are the key properties of 1-fluoro-3,6-dimethylpiperidin-2-one?
1-fluoro-3,6-dimethylpiperidin-2-one has a molecular weight of 145.18 g/mol, XLogP of 1.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3,6-dimethylpiperidin-2-one is sourced from PubChem (CID 152618779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).