1-[(3R,4S)-3-fluoro-4-hydroxypiperidin-1-yl]-2-hydroxyethanone;propane

C10H20FNO3 — CID 145336264

IUPAC1-[(3R,4S)-3-fluoro-4-hydroxypiperidin-1-yl]-2-hydroxyethanone;propane
SMILESCCC.O=C(CO)N1CC[C@H](O)[C@H](F)C1
InChIInChI=1S/C7H12FNO3.C3H8/c8-5-3-9(7(12)4-10)2-1-6(5)11;1-3-2/h5-6,10-11H,1-4H2;3H2,1-2H3/t5-,6+;/m1./s1
InChIKeyAXRAMLKDOMEYJJ-IBTYICNHSA-N
MW221.27 g/mol
LogP0.33
Rot. Bonds1

About 1-[(3R,4S)-3-fluoro-4-hydroxypiperidin-1-yl]-2-hydroxyethanone;propane

1-[(3R,4S)-3-fluoro-4-hydroxypiperidin-1-yl]-2-hydroxyethanone;propane (PubChem CID 145336264) has the molecular formula C10H20FNO3 and a molecular weight of 221.27 g/mol. Its IUPAC name is 1-[(3R,4S)-3-fluoro-4-hydroxypiperidin-1-yl]-2-hydroxyethanone;propane.

Molecular Properties

Compound Name1-[(3R,4S)-3-fluoro-4-hydroxypiperidin-1-yl]-2-hydroxyethanone;propane
PubChem CID145336264
Molecular FormulaC10H20FNO3
Molecular Weight221.27 g/mol
Exact Mass221.14
IUPAC Name1-[(3R,4S)-3-fluoro-4-hydroxypiperidin-1-yl]-2-hydroxyethanone;propane
SMILESCCC.O=C(CO)N1CC[C@H](O)[C@H](F)C1
InChIInChI=1S/C7H12FNO3.C3H8/c8-5-3-9(7(12)4-10)2-1-6(5)11;1-3-2/h5-6,10-11H,1-4H2;3H2,1-2H3/t5-,6+;/m1./s1
InChIKeyAXRAMLKDOMEYJJ-IBTYICNHSA-N
XLogP0.33
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(3R,4S)-3-fluoro-4-hydroxypiperidin-1-yl]-2-hydroxyethanone;propane 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

2-Hydroxy-1-(3-hydroxy-1-piperidyl)ethanone
CID 6480491
2-Hydroxy-1-(4-hydroxy-1-piperidyl)ethanone
CID 6480490
1-(4-Hydroxypiperidin-1-yl)butan-1-one
CID 23295198
2-Hydroxy-1-(piperidin-1-yl)propan-1-one
CID 249284
(2S)-2-hydroxy-1-piperidin-1-ylpropan-1-one
CID 15681250
2,2-Difluoro-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 58122754
(2R)-3,3,3-trifluoro-2-hydroxy-1-(4-propan-2-yloxypiperidin-1-yl)propan-1-one
CID 68267294
(2S)-3,3,3-trifluoro-2-hydroxy-1-(4-propan-2-yloxypiperidin-1-yl)propan-1-one
CID 68267303
(2R)-3,3,3-trifluoro-2-hydroxy-1-(4-methoxypiperidin-1-yl)propan-1-one
CID 68307518
(2S)-3,3,3-trifluoro-2-hydroxy-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 68378070
(2R)-1-(4-ethoxypiperidin-1-yl)-3,3,3-trifluoro-2-hydroxypropan-1-one
CID 68378157
1-(3,3-Difluoro-4-propan-2-yloxypiperidin-1-yl)-2-hydroxyethanone
CID 118551804

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4S)-3-fluoro-4-hydroxypiperidin-1-yl]-2-hydroxyethanone;propane?
The IUPAC name of 1-[(3R,4S)-3-fluoro-4-hydroxypiperidin-1-yl]-2-hydroxyethanone;propane (CID 145336264) is 1-[(3R,4S)-3-fluoro-4-hydroxypiperidin-1-yl]-2-hydroxyethanone;propane.
What is the SMILES notation for 1-[(3R,4S)-3-fluoro-4-hydroxypiperidin-1-yl]-2-hydroxyethanone;propane?
The canonical SMILES for 1-[(3R,4S)-3-fluoro-4-hydroxypiperidin-1-yl]-2-hydroxyethanone;propane is CCC.O=C(CO)N1CC[C@H](O)[C@H](F)C1.
What is the InChIKey of 1-[(3R,4S)-3-fluoro-4-hydroxypiperidin-1-yl]-2-hydroxyethanone;propane?
The InChIKey is AXRAMLKDOMEYJJ-IBTYICNHSA-N. The full InChI is InChI=1S/C7H12FNO3.C3H8/c8-5-3-9(7(12)4-10)2-1-6(5)11;1-3-2/h5-6,10-11H,1-4H2;3H2,1-2H3/t5-,6+;/m1./s1.
What are the key properties of 1-[(3R,4S)-3-fluoro-4-hydroxypiperidin-1-yl]-2-hydroxyethanone;propane?
1-[(3R,4S)-3-fluoro-4-hydroxypiperidin-1-yl]-2-hydroxyethanone;propane has a molecular weight of 221.27 g/mol, XLogP of 0.33, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4S)-3-fluoro-4-hydroxypiperidin-1-yl]-2-hydroxyethanone;propane is sourced from PubChem (CID 145336264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).