1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-3-hydroxypropan-1-one

C9H16FNO3 — CID 121265268

IUPAC1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-3-hydroxypropan-1-one
SMILESCO[C@H]1CCN(C(=O)CCO)C[C@H]1F
InChIInChI=1S/C9H16FNO3/c1-14-8-2-4-11(6-7(8)10)9(13)3-5-12/h7-8,12H,2-6H2,1H3/t7-,8+/m1/s1
InChIKeyFMFJHMFZRBKMDA-SFYZADRCSA-N
MW205.23 g/mol
LogP-0.05
Rot. Bonds3

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

1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-3-hydroxypropan-1-one (PubChem CID 121265268) has the molecular formula C9H16FNO3 and a molecular weight of 205.23 g/mol. Its IUPAC name is 1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-3-hydroxypropan-1-one.

Molecular Properties

Compound Name1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-3-hydroxypropan-1-one
PubChem CID121265268
Molecular FormulaC9H16FNO3
Molecular Weight205.23 g/mol
Exact Mass205.11
IUPAC Name1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-3-hydroxypropan-1-one
SMILESCO[C@H]1CCN(C(=O)CCO)C[C@H]1F
InChIInChI=1S/C9H16FNO3/c1-14-8-2-4-11(6-7(8)10)9(13)3-5-12/h7-8,12H,2-6H2,1H3/t7-,8+/m1/s1
InChIKeyFMFJHMFZRBKMDA-SFYZADRCSA-N
XLogP-0.05
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(3R,4S)-3-fluoro-4-methoxypiperidin-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-methoxypiperidin-1-yl]-3-hydroxypropan-1-one?
The IUPAC name of 1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-3-hydroxypropan-1-one (CID 121265268) is 1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-3-hydroxypropan-1-one.
What is the SMILES notation for 1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-3-hydroxypropan-1-one?
The canonical SMILES for 1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-3-hydroxypropan-1-one is CO[C@H]1CCN(C(=O)CCO)C[C@H]1F.
What is the InChIKey of 1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-3-hydroxypropan-1-one?
The InChIKey is FMFJHMFZRBKMDA-SFYZADRCSA-N. The full InChI is InChI=1S/C9H16FNO3/c1-14-8-2-4-11(6-7(8)10)9(13)3-5-12/h7-8,12H,2-6H2,1H3/t7-,8+/m1/s1.
What are the key properties of 1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-3-hydroxypropan-1-one?
1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-3-hydroxypropan-1-one has a molecular weight of 205.23 g/mol, XLogP of -0.05, 3 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-methoxypiperidin-1-yl]-3-hydroxypropan-1-one is sourced from PubChem (CID 121265268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).