1-(4-fluoro-4-methylpiperidin-1-yl)-3,3-dimethylbutan-1-one

C12H22FNO — CID 58516787

IUPAC1-(4-fluoro-4-methylpiperidin-1-yl)-3,3-dimethylbutan-1-one
SMILESCC(C)(C)CC(=O)N1CCC(C)(F)CC1
InChIInChI=1S/C12H22FNO/c1-11(2,3)9-10(15)14-7-5-12(4,13)6-8-14/h5-9H2,1-4H3
InChIKeyGVHYUVCKLGHDSC-UHFFFAOYSA-N
MW215.31 g/mol
LogP2.77
Rot. Bonds1

About 1-(4-fluoro-4-methylpiperidin-1-yl)-3,3-dimethylbutan-1-one

1-(4-fluoro-4-methylpiperidin-1-yl)-3,3-dimethylbutan-1-one (PubChem CID 58516787) has the molecular formula C12H22FNO and a molecular weight of 215.31 g/mol. Its IUPAC name is 1-(4-fluoro-4-methylpiperidin-1-yl)-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name1-(4-fluoro-4-methylpiperidin-1-yl)-3,3-dimethylbutan-1-one
PubChem CID58516787
Molecular FormulaC12H22FNO
Molecular Weight215.31 g/mol
Exact Mass215.17
IUPAC Name1-(4-fluoro-4-methylpiperidin-1-yl)-3,3-dimethylbutan-1-one
SMILESCC(C)(C)CC(=O)N1CCC(C)(F)CC1
InChIInChI=1S/C12H22FNO/c1-11(2,3)9-10(15)14-7-5-12(4,13)6-8-14/h5-9H2,1-4H3
InChIKeyGVHYUVCKLGHDSC-UHFFFAOYSA-N
XLogP2.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.31
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Piperidine,1-(2,2,4,4-tetramethylvaleryl)-
CID 208728
1-(3,3-Dimethylbutanoyl)piperidin-4-one
CID 21064653
1-Piperidino-2-ethyl-1-butanone
CID 5052838
1-(4-Fluoro-4-methylpiperidin-1-yl)ethanone
CID 67570230
3-Methyl-1-(1-piperidinyl)-1-butanone
CID 4075318
1-Pivaloylpiperidine
CID 4418119
2-Fluoro-1-(4-methylpiperidin-1-yl)ethanone
CID 45080727
1-(4-Methylpiperidin-1-yl)pentan-1-one
CID 304082
1-(4-Methylpiperidin-1-yl)butan-1-one
CID 304112
Trimethylpiperidone
CID 12222905
Tetramethylpiperidon
CID 18413099
Hexamethylpiperidone
CID 129812397

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-4-methylpiperidin-1-yl)-3,3-dimethylbutan-1-one?
The IUPAC name of 1-(4-fluoro-4-methylpiperidin-1-yl)-3,3-dimethylbutan-1-one (CID 58516787) is 1-(4-fluoro-4-methylpiperidin-1-yl)-3,3-dimethylbutan-1-one.
What is the SMILES notation for 1-(4-fluoro-4-methylpiperidin-1-yl)-3,3-dimethylbutan-1-one?
The canonical SMILES for 1-(4-fluoro-4-methylpiperidin-1-yl)-3,3-dimethylbutan-1-one is CC(C)(C)CC(=O)N1CCC(C)(F)CC1.
What is the InChIKey of 1-(4-fluoro-4-methylpiperidin-1-yl)-3,3-dimethylbutan-1-one?
The InChIKey is GVHYUVCKLGHDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FNO/c1-11(2,3)9-10(15)14-7-5-12(4,13)6-8-14/h5-9H2,1-4H3.
What are the key properties of 1-(4-fluoro-4-methylpiperidin-1-yl)-3,3-dimethylbutan-1-one?
1-(4-fluoro-4-methylpiperidin-1-yl)-3,3-dimethylbutan-1-one has a molecular weight of 215.31 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-4-methylpiperidin-1-yl)-3,3-dimethylbutan-1-one is sourced from PubChem (CID 58516787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).