(2R)-1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-3-hydroxy-2-methylpropan-1-one

C10H18FNO3 — CID 121265292

IUPAC(2R)-1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-3-hydroxy-2-methylpropan-1-one
SMILESCO[C@H]1CCN(C(=O)[C@H](C)CO)C[C@H]1F
InChIInChI=1S/C10H18FNO3/c1-7(6-13)10(14)12-4-3-9(15-2)8(11)5-12/h7-9,13H,3-6H2,1-2H3/t7-,8-,9+/m1/s1
InChIKeyDEBKXKYXWCFCDC-HLTSFMKQSA-N
MW219.26 g/mol
LogP0.20
Rot. Bonds3

About (2R)-1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-3-hydroxy-2-methylpropan-1-one

(2R)-1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-3-hydroxy-2-methylpropan-1-one (PubChem CID 121265292) has the molecular formula C10H18FNO3 and a molecular weight of 219.26 g/mol. Its IUPAC name is (2R)-1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-3-hydroxy-2-methylpropan-1-one.

Molecular Properties

Compound Name(2R)-1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-3-hydroxy-2-methylpropan-1-one
PubChem CID121265292
Molecular FormulaC10H18FNO3
Molecular Weight219.26 g/mol
Exact Mass219.13
IUPAC Name(2R)-1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-3-hydroxy-2-methylpropan-1-one
SMILESCO[C@H]1CCN(C(=O)[C@H](C)CO)C[C@H]1F
InChIInChI=1S/C10H18FNO3/c1-7(6-13)10(14)12-4-3-9(15-2)8(11)5-12/h7-9,13H,3-6H2,1-2H3/t7-,8-,9+/m1/s1
InChIKeyDEBKXKYXWCFCDC-HLTSFMKQSA-N
XLogP0.20
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-3-hydroxy-2-methylpropan-1-one with MolForge

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Related Compounds

2-amino-2-(diaminomethylamino)-1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]ethanone
CID 121265358
3-hydroxy-2-methyl-1-(3-methylpyrrolidin-1-yl)propan-1-one
CID 170768798
2,2,2-trifluoro-1-[(3S,4R)-3-fluoro-4-methoxypiperidin-1-yl]ethanone
CID 134827899
(2R)-1-[(3R,4S)-3-fluoro-4-[5-[(3R,4S)-3-fluoro-1-(oxolan-3-yl)piperidin-4-yl]oxypentan-2-yloxy]piperidin-1-yl]-3-hydroxy-2-methylpropan-1-one
CID 138525337
1-[(3S,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-2-hydroxyethanone
CID 121261768
2-(3-fluoro-4-methoxypiperidin-1-yl)propanamide
CID 118208339
1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-2-pyrazolidin-3-ylethanone
CID 121265344
(5R)-5-[(3R)-3-fluoro-4-methoxypiperidine-1-carbonyl]pyrrolidin-2-one
CID 121265380
(4R)-3-fluoro-4-methoxypyrrolidine-1-carbonyl iodide
CID 89331799
1-[4-[2-(3-fluoro-4-methoxypiperidin-1-yl)ethyl]piperidin-1-yl]ethanone
CID 156707378
[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-(3-methylimidazolidin-4-yl)methanone
CID 121265296
[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-pyrazolidin-3-ylmethanone;molecular hydrogen;propane
CID 145052579

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-3-hydroxy-2-methylpropan-1-one?
The IUPAC name of (2R)-1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-3-hydroxy-2-methylpropan-1-one (CID 121265292) is (2R)-1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-3-hydroxy-2-methylpropan-1-one.
What is the SMILES notation for (2R)-1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-3-hydroxy-2-methylpropan-1-one?
The canonical SMILES for (2R)-1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-3-hydroxy-2-methylpropan-1-one is CO[C@H]1CCN(C(=O)[C@H](C)CO)C[C@H]1F.
What is the InChIKey of (2R)-1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-3-hydroxy-2-methylpropan-1-one?
The InChIKey is DEBKXKYXWCFCDC-HLTSFMKQSA-N. The full InChI is InChI=1S/C10H18FNO3/c1-7(6-13)10(14)12-4-3-9(15-2)8(11)5-12/h7-9,13H,3-6H2,1-2H3/t7-,8-,9+/m1/s1.
What are the key properties of (2R)-1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-3-hydroxy-2-methylpropan-1-one?
(2R)-1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-3-hydroxy-2-methylpropan-1-one has a molecular weight of 219.26 g/mol, XLogP of 0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-3-hydroxy-2-methylpropan-1-one is sourced from PubChem (CID 121265292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).