1-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-3-hydroxypropan-1-one

C11H20FNO3 — CID 121261806

IUPAC1-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-3-hydroxypropan-1-one
SMILESCC(C)O[C@H]1CCN(C(=O)CCO)C[C@H]1F
InChIInChI=1S/C11H20FNO3/c1-8(2)16-10-3-5-13(7-9(10)12)11(15)4-6-14/h8-10,14H,3-7H2,1-2H3/t9-,10+/m1/s1
InChIKeyZTKWLXURRJLDIW-ZJUUUORDSA-N
MW233.28 g/mol
LogP0.73
Rot. Bonds4

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

1-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-3-hydroxypropan-1-one (PubChem CID 121261806) has the molecular formula C11H20FNO3 and a molecular weight of 233.28 g/mol. Its IUPAC name is 1-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-3-hydroxypropan-1-one.

Molecular Properties

Compound Name1-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-3-hydroxypropan-1-one
PubChem CID121261806
Molecular FormulaC11H20FNO3
Molecular Weight233.28 g/mol
Exact Mass233.14
IUPAC Name1-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-3-hydroxypropan-1-one
SMILESCC(C)O[C@H]1CCN(C(=O)CCO)C[C@H]1F
InChIInChI=1S/C11H20FNO3/c1-8(2)16-10-3-5-13(7-9(10)12)11(15)4-6-14/h8-10,14H,3-7H2,1-2H3/t9-,10+/m1/s1
InChIKeyZTKWLXURRJLDIW-ZJUUUORDSA-N
XLogP0.73
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-3-hydroxypropan-1-one?
The IUPAC name of 1-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-3-hydroxypropan-1-one (CID 121261806) is 1-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-3-hydroxypropan-1-one.
What is the SMILES notation for 1-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-3-hydroxypropan-1-one?
The canonical SMILES for 1-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-3-hydroxypropan-1-one is CC(C)O[C@H]1CCN(C(=O)CCO)C[C@H]1F.
What is the InChIKey of 1-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-3-hydroxypropan-1-one?
The InChIKey is ZTKWLXURRJLDIW-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H20FNO3/c1-8(2)16-10-3-5-13(7-9(10)12)11(15)4-6-14/h8-10,14H,3-7H2,1-2H3/t9-,10+/m1/s1.
What are the key properties of 1-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-3-hydroxypropan-1-one?
1-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-3-hydroxypropan-1-one has a molecular weight of 233.28 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-3-hydroxypropan-1-one is sourced from PubChem (CID 121261806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).