3-fluoro-1-methylpiperidin-4-one

C6H10FNO — CID 53302090

IUPAC3-fluoro-1-methylpiperidin-4-one
SMILESCN1CCC(=O)C(F)C1
InChIInChI=1S/C6H10FNO/c1-8-3-2-6(9)5(7)4-8/h5H,2-4H2,1H3
InChIKeyRGCRFKQOTAPTTF-UHFFFAOYSA-N
MW131.15 g/mol
LogP0.23
Rot. Bonds

About 3-fluoro-1-methylpiperidin-4-one

3-fluoro-1-methylpiperidin-4-one (PubChem CID 53302090) has the molecular formula C6H10FNO and a molecular weight of 131.15 g/mol. Its IUPAC name is 3-fluoro-1-methylpiperidin-4-one.

Molecular Properties

Compound Name3-fluoro-1-methylpiperidin-4-one
PubChem CID53302090
Molecular FormulaC6H10FNO
Molecular Weight131.15 g/mol
Exact Mass131.07
IUPAC Name3-fluoro-1-methylpiperidin-4-one
SMILESCN1CCC(=O)C(F)C1
InChIInChI=1S/C6H10FNO/c1-8-3-2-6(9)5(7)4-8/h5H,2-4H2,1H3
InChIKeyRGCRFKQOTAPTTF-UHFFFAOYSA-N
XLogP0.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.15
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-Dimethyl-4-piperidone
CID 107311
1-Methyl-4-piperidone
CID 74049
1-Ethylpiperidin-4-one
CID 77159
1-(Isopropyl)-4-piperidone
CID 79313
1,1-Dimethyl-4-oxopiperidin-1-ium iodide
CID 11149497
1-Butyl-4-piperidone
CID 89995
1-Propyl-4-piperidone
CID 90006
4-(Piperidin-1-yl)butan-2-one
CID 414358
1,2-Dimethylpiperidin-4-one
CID 12424039
1-Isobutyl-4-piperidone
CID 4202451
1,1-Dimethyl-4-oxopiperidinium iodide
CID 422966
4-(Piperidin-1-yl)butan-2-one hydrochloride
CID 24213210

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-methylpiperidin-4-one?
The IUPAC name of 3-fluoro-1-methylpiperidin-4-one (CID 53302090) is 3-fluoro-1-methylpiperidin-4-one.
What is the SMILES notation for 3-fluoro-1-methylpiperidin-4-one?
The canonical SMILES for 3-fluoro-1-methylpiperidin-4-one is CN1CCC(=O)C(F)C1.
What is the InChIKey of 3-fluoro-1-methylpiperidin-4-one?
The InChIKey is RGCRFKQOTAPTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FNO/c1-8-3-2-6(9)5(7)4-8/h5H,2-4H2,1H3.
What are the key properties of 3-fluoro-1-methylpiperidin-4-one?
3-fluoro-1-methylpiperidin-4-one has a molecular weight of 131.15 g/mol, XLogP of 0.23, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-methylpiperidin-4-one is sourced from PubChem (CID 53302090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).