(3R)-6-butyl-3-fluoro-2,2,6-trimethylpiperidin-4-one

C12H22FNO — CID 139549310

IUPAC(3R)-6-butyl-3-fluoro-2,2,6-trimethylpiperidin-4-one
SMILESCCCCC1(C)CC(=O)[C@H](F)C(C)(C)N1
InChIInChI=1S/C12H22FNO/c1-5-6-7-12(4)8-9(15)10(13)11(2,3)14-12/h10,14H,5-8H2,1-4H3/t10-,12?/m0/s1
InChIKeyRAVBYRYQTXXUOV-NUHJPDEHSA-N
MW215.31 g/mol
LogP2.61
Rot. Bonds3

About (3R)-6-butyl-3-fluoro-2,2,6-trimethylpiperidin-4-one

(3R)-6-butyl-3-fluoro-2,2,6-trimethylpiperidin-4-one (PubChem CID 139549310) has the molecular formula C12H22FNO and a molecular weight of 215.31 g/mol. Its IUPAC name is (3R)-6-butyl-3-fluoro-2,2,6-trimethylpiperidin-4-one.

Molecular Properties

Compound Name(3R)-6-butyl-3-fluoro-2,2,6-trimethylpiperidin-4-one
PubChem CID139549310
Molecular FormulaC12H22FNO
Molecular Weight215.31 g/mol
Exact Mass215.17
IUPAC Name(3R)-6-butyl-3-fluoro-2,2,6-trimethylpiperidin-4-one
SMILESCCCCC1(C)CC(=O)[C@H](F)C(C)(C)N1
InChIInChI=1S/C12H22FNO/c1-5-6-7-12(4)8-9(15)10(13)11(2,3)14-12/h10,14H,5-8H2,1-4H3/t10-,12?/m0/s1
InChIKeyRAVBYRYQTXXUOV-NUHJPDEHSA-N
XLogP2.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.31
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,6,6-Tetramethyl-4-piperidone
CID 13220
(6R)-6-(2-oxopropyl)-6-pentylpiperidin-2-one
CID 11138811
2,2,6,6-Tetramethyl(~15~N)piperidin-4-one
CID 10888153
6-(2-Oxopropyl)-6-pentylpiperidin-2-one
CID 10585296
2,2,6,6-Tetraethyl-4-piperidone
CID 45095009
2,6-Diethyl-2,3,6-trimethylpiperidin-4-one
CID 22182213
1-[1-(Tert-butylamino)-4-fluorocyclohexyl]-2,2-dimethylpropan-1-one
CID 58256846
1-[1-(Tert-butylamino)-4-fluoro-4-methylcyclohexyl]propan-1-one
CID 68345378
2,2,6,6-Tetrakis(1,1,1-trifluoropropan-2-yl)piperidin-4-one
CID 87592607
3-Fluoro-2,2,6,6-tetramethylpiperidin-4-one
CID 139536839
(3R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-one
CID 153348606
2-Fluoro-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-one
CID 153383243

Frequently Asked Questions

What is the IUPAC name of (3R)-6-butyl-3-fluoro-2,2,6-trimethylpiperidin-4-one?
The IUPAC name of (3R)-6-butyl-3-fluoro-2,2,6-trimethylpiperidin-4-one (CID 139549310) is (3R)-6-butyl-3-fluoro-2,2,6-trimethylpiperidin-4-one.
What is the SMILES notation for (3R)-6-butyl-3-fluoro-2,2,6-trimethylpiperidin-4-one?
The canonical SMILES for (3R)-6-butyl-3-fluoro-2,2,6-trimethylpiperidin-4-one is CCCCC1(C)CC(=O)[C@H](F)C(C)(C)N1.
What is the InChIKey of (3R)-6-butyl-3-fluoro-2,2,6-trimethylpiperidin-4-one?
The InChIKey is RAVBYRYQTXXUOV-NUHJPDEHSA-N. The full InChI is InChI=1S/C12H22FNO/c1-5-6-7-12(4)8-9(15)10(13)11(2,3)14-12/h10,14H,5-8H2,1-4H3/t10-,12?/m0/s1.
What are the key properties of (3R)-6-butyl-3-fluoro-2,2,6-trimethylpiperidin-4-one?
(3R)-6-butyl-3-fluoro-2,2,6-trimethylpiperidin-4-one has a molecular weight of 215.31 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-butyl-3-fluoro-2,2,6-trimethylpiperidin-4-one is sourced from PubChem (CID 139549310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).