1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidine-2,6-dione

C13H14FNO3 — CID 113463158

IUPAC1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidine-2,6-dione
SMILESO=C1CCCC(=O)N1CC(O)c1ccccc1F
InChIInChI=1S/C13H14FNO3/c14-10-5-2-1-4-9(10)11(16)8-15-12(17)6-3-7-13(15)18/h1-2,4-5,11,16H,3,6-8H2
InChIKeyQDRCNTLEUIWHDI-UHFFFAOYSA-N
MW251.26 g/mol
LogP1.40
Rot. Bonds3

About 1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidine-2,6-dione

1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidine-2,6-dione (PubChem CID 113463158) has the molecular formula C13H14FNO3 and a molecular weight of 251.26 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidine-2,6-dione.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidine-2,6-dione
PubChem CID113463158
Molecular FormulaC13H14FNO3
Molecular Weight251.26 g/mol
Exact Mass251.10
IUPAC Name1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidine-2,6-dione
SMILESO=C1CCCC(=O)N1CC(O)c1ccccc1F
InChIInChI=1S/C13H14FNO3/c14-10-5-2-1-4-9(10)11(16)8-15-12(17)6-3-7-13(15)18/h1-2,4-5,11,16H,3,6-8H2
InChIKeyQDRCNTLEUIWHDI-UHFFFAOYSA-N
XLogP1.40
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-methylimidazolidine-2,4-dione
CID 42955349
2-[2-(2-fluorophenyl)-2-hydroxyethyl]isoindole-1,3-dione
CID 42946404
7-[2-(2-fluorophenyl)-2-hydroxyethyl]-5,7-diazaspiro[3.4]octane-6,8-dione
CID 110921257
2-(aziridin-1-yl)-1-(2-fluorophenyl)ethanol
CID 82125307
(1S)-1-(2-fluorophenyl)-2-[4-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]ethanol
CID 34179618
1-[[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]methyl]piperidin-2-one
CID 111496584
2-[2-(2-fluorophenyl)-2-hydroxyethyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 42946430
2-[2-(2-fluorophenyl)-2-hydroxyethyl]pyridazin-3-one
CID 107143258
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-methylimidazolidin-2-one
CID 114059412
2-[2-(2-fluorophenyl)-2-hydroxyethyl]-6-phenylpyridazin-3-one
CID 110905256
4-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-2-one
CID 34182694
(1R)-2-[4-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-1-phenylethanol
CID 95319125

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidine-2,6-dione?
The IUPAC name of 1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidine-2,6-dione (CID 113463158) is 1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidine-2,6-dione.
What is the SMILES notation for 1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidine-2,6-dione?
The canonical SMILES for 1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidine-2,6-dione is O=C1CCCC(=O)N1CC(O)c1ccccc1F.
What is the InChIKey of 1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidine-2,6-dione?
The InChIKey is QDRCNTLEUIWHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO3/c14-10-5-2-1-4-9(10)11(16)8-15-12(17)6-3-7-13(15)18/h1-2,4-5,11,16H,3,6-8H2.
What are the key properties of 1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidine-2,6-dione?
1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidine-2,6-dione has a molecular weight of 251.26 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidine-2,6-dione is sourced from PubChem (CID 113463158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).