3-[(4-fluorophenyl)methyl]piperidine-2,6-dione

C12H12FNO2 — CID 14531161

IUPAC3-[(4-fluorophenyl)methyl]piperidine-2,6-dione
SMILESO=C1CCC(Cc2ccc(F)cc2)C(=O)N1
InChIInChI=1S/C12H12FNO2/c13-10-4-1-8(2-5-10)7-9-3-6-11(15)14-12(9)16/h1-2,4-5,9H,3,6-7H2,(H,14,15,16)
InChIKeyARWNSICWNFCHRI-UHFFFAOYSA-N
MW221.23 g/mol
LogP1.42
Rot. Bonds2

About 3-[(4-fluorophenyl)methyl]piperidine-2,6-dione

3-[(4-fluorophenyl)methyl]piperidine-2,6-dione (PubChem CID 14531161) has the molecular formula C12H12FNO2 and a molecular weight of 221.23 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]piperidine-2,6-dione
PubChem CID14531161
Molecular FormulaC12H12FNO2
Molecular Weight221.23 g/mol
Exact Mass221.09
IUPAC Name3-[(4-fluorophenyl)methyl]piperidine-2,6-dione
SMILESO=C1CCC(Cc2ccc(F)cc2)C(=O)N1
InChIInChI=1S/C12H12FNO2/c13-10-4-1-8(2-5-10)7-9-3-6-11(15)14-12(9)16/h1-2,4-5,9H,3,6-7H2,(H,14,15,16)
InChIKeyARWNSICWNFCHRI-UHFFFAOYSA-N
XLogP1.42
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Glutethimide
CID 3487
4-(4-Chlorophenyl)piperidine-2,6-dione
CID 2727728
Glutarimide, N-ethyl-3-phenyl-
CID 3043002
3-Phenylglutarimide
CID 101452
Glutarimide, 2-(p-chlorobenzyl)-
CID 212772
Glutarimide, N-methyl-3-phenyl-
CID 3043001
3-(2-Fluorophenyl)pyrrolidine-2,5-dione
CID 50989418
5-acetyl-4-(4-fluorophenyl)-6-methyl-3,4-dihydro-2(1H)-pyridinone
CID 3753346
4-Methyl-2,6-dioxo-4-phenylpiperidine-3,5-dicarbonitrile
CID 236832
3-Phenyl-2,6-piperidinedione
CID 85686
(+-)-3-Benzylsuccinimide
CID 3050332
Glutarimide, 2-methyl-2-phenyl-
CID 203309

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]piperidine-2,6-dione?
The IUPAC name of 3-[(4-fluorophenyl)methyl]piperidine-2,6-dione (CID 14531161) is 3-[(4-fluorophenyl)methyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]piperidine-2,6-dione?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]piperidine-2,6-dione is O=C1CCC(Cc2ccc(F)cc2)C(=O)N1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]piperidine-2,6-dione?
The InChIKey is ARWNSICWNFCHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO2/c13-10-4-1-8(2-5-10)7-9-3-6-11(15)14-12(9)16/h1-2,4-5,9H,3,6-7H2,(H,14,15,16).
What are the key properties of 3-[(4-fluorophenyl)methyl]piperidine-2,6-dione?
3-[(4-fluorophenyl)methyl]piperidine-2,6-dione has a molecular weight of 221.23 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]piperidine-2,6-dione is sourced from PubChem (CID 14531161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).