3-[3-fluoro-4-(hydroxymethyl)phenyl]piperidine-2,6-dione

C12H12FNO3 — CID 167463182

IUPAC3-[3-fluoro-4-(hydroxymethyl)phenyl]piperidine-2,6-dione
SMILESO=C1CCC(c2ccc(CO)c(F)c2)C(=O)N1
InChIInChI=1S/C12H12FNO3/c13-10-5-7(1-2-8(10)6-15)9-3-4-11(16)14-12(9)17/h1-2,5,9,15H,3-4,6H2,(H,14,16,17)
InChIKeyJCEDGPUXKKTKDU-UHFFFAOYSA-N
MW237.23 g/mol
LogP0.84
Rot. Bonds2

About 3-[3-fluoro-4-(hydroxymethyl)phenyl]piperidine-2,6-dione

3-[3-fluoro-4-(hydroxymethyl)phenyl]piperidine-2,6-dione (PubChem CID 167463182) has the molecular formula C12H12FNO3 and a molecular weight of 237.23 g/mol. Its IUPAC name is 3-[3-fluoro-4-(hydroxymethyl)phenyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[3-fluoro-4-(hydroxymethyl)phenyl]piperidine-2,6-dione
PubChem CID167463182
Molecular FormulaC12H12FNO3
Molecular Weight237.23 g/mol
Exact Mass237.08
IUPAC Name3-[3-fluoro-4-(hydroxymethyl)phenyl]piperidine-2,6-dione
SMILESO=C1CCC(c2ccc(CO)c(F)c2)C(=O)N1
InChIInChI=1S/C12H12FNO3/c13-10-5-7(1-2-8(10)6-15)9-3-4-11(16)14-12(9)17/h1-2,5,9,15H,3-4,6H2,(H,14,16,17)
InChIKeyJCEDGPUXKKTKDU-UHFFFAOYSA-N
XLogP0.84
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-(4-fluoro-3-piperazin-1-ylphenyl)piperidine-2,6-dione
CID 177028079
3-[4-[4-[[(4-aminocyclohexyl)methylamino]methyl]piperidin-1-yl]-3-fluorophenyl]piperidine-2,6-dione
CID 167463189
3-(3-fluoro-4-piperidin-4-ylphenyl)piperidine-2,6-dione;2,2,2-trifluoroacetic acid
CID 175829694
(3S)-3-(4-methylphenyl)piperidine-2,6-dione
CID 94766924
3-[4-[4-[(ethenylamino)methyl]piperidin-1-yl]-3-fluorophenyl]piperidine-2,6-dione
CID 178116403
3-[4-[4-[(4-aminocyclohexyl)methyl]piperazin-1-yl]-3-fluorophenyl]piperidine-2,6-dione
CID 171598542
3-(4-aminophenyl)piperidine-2,6-dione;ethane
CID 177052461
3-[5-fluoro-6-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione
CID 166113598
CID 177052361
CID 177052361
ethane;3-(2-fluoro-4-methylphenyl)piperidine-2,6-dione
CID 176684006
3-[4-(5-hydroxypentoxy)phenyl]piperidine-2,6-dione
CID 172584861
3-[2-fluoro-4-(1-methylpiperidin-4-yl)phenyl]piperidine-2,6-dione
CID 170953722

Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-4-(hydroxymethyl)phenyl]piperidine-2,6-dione?
The IUPAC name of 3-[3-fluoro-4-(hydroxymethyl)phenyl]piperidine-2,6-dione (CID 167463182) is 3-[3-fluoro-4-(hydroxymethyl)phenyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[3-fluoro-4-(hydroxymethyl)phenyl]piperidine-2,6-dione?
The canonical SMILES for 3-[3-fluoro-4-(hydroxymethyl)phenyl]piperidine-2,6-dione is O=C1CCC(c2ccc(CO)c(F)c2)C(=O)N1.
What is the InChIKey of 3-[3-fluoro-4-(hydroxymethyl)phenyl]piperidine-2,6-dione?
The InChIKey is JCEDGPUXKKTKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO3/c13-10-5-7(1-2-8(10)6-15)9-3-4-11(16)14-12(9)17/h1-2,5,9,15H,3-4,6H2,(H,14,16,17).
What are the key properties of 3-[3-fluoro-4-(hydroxymethyl)phenyl]piperidine-2,6-dione?
3-[3-fluoro-4-(hydroxymethyl)phenyl]piperidine-2,6-dione has a molecular weight of 237.23 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-4-(hydroxymethyl)phenyl]piperidine-2,6-dione is sourced from PubChem (CID 167463182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).