1-[(3S,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-2-hydroxyethanone

C10H18FNO3 — CID 121261768

IUPAC1-[(3S,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-2-hydroxyethanone
SMILESCC(C)O[C@H]1CCN(C(=O)CO)C[C@@H]1F
InChIInChI=1S/C10H18FNO3/c1-7(2)15-9-3-4-12(5-8(9)11)10(14)6-13/h7-9,13H,3-6H2,1-2H3/t8-,9-/m0/s1
InChIKeyIVGMBFNPAWYHOB-IUCAKERBSA-N
MW219.26 g/mol
LogP0.34
Rot. Bonds3

About 1-[(3S,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-2-hydroxyethanone

1-[(3S,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-2-hydroxyethanone (PubChem CID 121261768) has the molecular formula C10H18FNO3 and a molecular weight of 219.26 g/mol. Its IUPAC name is 1-[(3S,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-2-hydroxyethanone.

Molecular Properties

Compound Name1-[(3S,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-2-hydroxyethanone
PubChem CID121261768
Molecular FormulaC10H18FNO3
Molecular Weight219.26 g/mol
Exact Mass219.13
IUPAC Name1-[(3S,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-2-hydroxyethanone
SMILESCC(C)O[C@H]1CCN(C(=O)CO)C[C@@H]1F
InChIInChI=1S/C10H18FNO3/c1-7(2)15-9-3-4-12(5-8(9)11)10(14)6-13/h7-9,13H,3-6H2,1-2H3/t8-,9-/m0/s1
InChIKeyIVGMBFNPAWYHOB-IUCAKERBSA-N
XLogP0.34
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 ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(3S,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-2-hydroxyethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3,5-dimethylpyrazolidin-4-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone
CID 138525351
(6-aminopiperazin-2-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone
CID 140709129
(2R)-1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-3-hydroxy-2-methylpropan-1-one
CID 121265292
2-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 20811818
(5-aminopyrazin-2-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone
CID 121261843
[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-pyrimidin-4-ylmethanone
CID 121261823
ethane;2-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 143709835
(1-cycloheptylpyrazolidin-4-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone
CID 135291751
(4-amino-5-cyclooctylpyrazolidin-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone
CID 138525335
1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-2-pyrazolidin-3-ylethanone
CID 121265344
2-hydroxy-1-[(3R)-3-(2-methylpropylamino)pyrrolidin-1-yl]ethanone
CID 146497573
2-[(2-methylpropan-2-yl)oxy]-1-(3-propan-2-ylpyrrolidin-1-yl)ethanone
CID 112629807

Frequently Asked Questions

What is the IUPAC name of 1-[(3S,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-2-hydroxyethanone?
The IUPAC name of 1-[(3S,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-2-hydroxyethanone (CID 121261768) is 1-[(3S,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-2-hydroxyethanone.
What is the SMILES notation for 1-[(3S,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-2-hydroxyethanone?
The canonical SMILES for 1-[(3S,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-2-hydroxyethanone is CC(C)O[C@H]1CCN(C(=O)CO)C[C@@H]1F.
What is the InChIKey of 1-[(3S,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-2-hydroxyethanone?
The InChIKey is IVGMBFNPAWYHOB-IUCAKERBSA-N. The full InChI is InChI=1S/C10H18FNO3/c1-7(2)15-9-3-4-12(5-8(9)11)10(14)6-13/h7-9,13H,3-6H2,1-2H3/t8-,9-/m0/s1.
What are the key properties of 1-[(3S,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-2-hydroxyethanone?
1-[(3S,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-2-hydroxyethanone has a molecular weight of 219.26 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-2-hydroxyethanone is sourced from PubChem (CID 121261768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).