1-[(3S)-3-fluoro-3-methylpiperidin-1-yl]-2-propan-2-yloxyethanone

C11H20FNO2 — CID 129348765

IUPAC1-[(3S)-3-fluoro-3-methylpiperidin-1-yl]-2-propan-2-yloxyethanone
SMILESCC(C)OCC(=O)N1CCC[C@](C)(F)C1
InChIInChI=1S/C11H20FNO2/c1-9(2)15-7-10(14)13-6-4-5-11(3,12)8-13/h9H,4-8H2,1-3H3/t11-/m0/s1
InChIKeyLEKGDBCUNQMKJR-NSHDSACASA-N
MW217.28 g/mol
LogP1.76
Rot. Bonds3

About 1-[(3S)-3-fluoro-3-methylpiperidin-1-yl]-2-propan-2-yloxyethanone

1-[(3S)-3-fluoro-3-methylpiperidin-1-yl]-2-propan-2-yloxyethanone (PubChem CID 129348765) has the molecular formula C11H20FNO2 and a molecular weight of 217.28 g/mol. Its IUPAC name is 1-[(3S)-3-fluoro-3-methylpiperidin-1-yl]-2-propan-2-yloxyethanone.

Molecular Properties

Compound Name1-[(3S)-3-fluoro-3-methylpiperidin-1-yl]-2-propan-2-yloxyethanone
PubChem CID129348765
Molecular FormulaC11H20FNO2
Molecular Weight217.28 g/mol
Exact Mass217.15
IUPAC Name1-[(3S)-3-fluoro-3-methylpiperidin-1-yl]-2-propan-2-yloxyethanone
SMILESCC(C)OCC(=O)N1CCC[C@](C)(F)C1
InChIInChI=1S/C11H20FNO2/c1-9(2)15-7-10(14)13-6-4-5-11(3,12)8-13/h9H,4-8H2,1-3H3/t11-/m0/s1
InChIKeyLEKGDBCUNQMKJR-NSHDSACASA-N
XLogP1.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-Methylpiperidin-1-yl)-2-(2-methylpropoxy)propan-1-one
CID 45818538
1-Piperidin-1-yl-2-(2,2,2-trifluoroethoxy)propan-1-one
CID 45887316
2-(2-Methylpropoxy)-1-piperidin-1-ylpropan-1-one
CID 51079669
2-Methoxy-1-piperidin-1-ylpropan-1-one
CID 91035454
2-Ethoxy-1-(3-ethylpiperidin-1-yl)propan-1-one
CID 45823549
1-(2,6-Dimethylmorpholin-4-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 45893146
2-butan-2-yloxy-N-(1-ethyl-3-methylpiperidin-4-yl)-N-methylacetamide
CID 75387450
2-(3-Methylbutoxy)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 86848429
1-[(3S)-3-ethylpiperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 93617975
1-(5-Fluoro-3,3-dimethyl-4-propan-2-yloxypiperidin-1-yl)-2-hydroxyethanone
CID 121261815
1-[(4S,5R)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidin-1-yl]-2-hydroxyethanone
CID 121261832
1-[(4R,5S)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidin-1-yl]-2-hydroxyethanone
CID 121261835

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-fluoro-3-methylpiperidin-1-yl]-2-propan-2-yloxyethanone?
The IUPAC name of 1-[(3S)-3-fluoro-3-methylpiperidin-1-yl]-2-propan-2-yloxyethanone (CID 129348765) is 1-[(3S)-3-fluoro-3-methylpiperidin-1-yl]-2-propan-2-yloxyethanone.
What is the SMILES notation for 1-[(3S)-3-fluoro-3-methylpiperidin-1-yl]-2-propan-2-yloxyethanone?
The canonical SMILES for 1-[(3S)-3-fluoro-3-methylpiperidin-1-yl]-2-propan-2-yloxyethanone is CC(C)OCC(=O)N1CCC[C@](C)(F)C1.
What is the InChIKey of 1-[(3S)-3-fluoro-3-methylpiperidin-1-yl]-2-propan-2-yloxyethanone?
The InChIKey is LEKGDBCUNQMKJR-NSHDSACASA-N. The full InChI is InChI=1S/C11H20FNO2/c1-9(2)15-7-10(14)13-6-4-5-11(3,12)8-13/h9H,4-8H2,1-3H3/t11-/m0/s1.
What are the key properties of 1-[(3S)-3-fluoro-3-methylpiperidin-1-yl]-2-propan-2-yloxyethanone?
1-[(3S)-3-fluoro-3-methylpiperidin-1-yl]-2-propan-2-yloxyethanone has a molecular weight of 217.28 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-fluoro-3-methylpiperidin-1-yl]-2-propan-2-yloxyethanone is sourced from PubChem (CID 129348765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).