3-(5-tert-butyl-4-fluoro-2-methylphenyl)piperidine-2,6-dione

C16H20FNO2 — CID 170052283

IUPAC3-(5-tert-butyl-4-fluoro-2-methylphenyl)piperidine-2,6-dione
SMILESCc1cc(F)c(C(C)(C)C)cc1C1CCC(=O)NC1=O
InChIInChI=1S/C16H20FNO2/c1-9-7-13(17)12(16(2,3)4)8-11(9)10-5-6-14(19)18-15(10)20/h7-8,10H,5-6H2,1-4H3,(H,18,19,20)
InChIKeyFWADRUQCPXFIQR-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.95
Rot. Bonds1

About 3-(5-tert-butyl-4-fluoro-2-methylphenyl)piperidine-2,6-dione

3-(5-tert-butyl-4-fluoro-2-methylphenyl)piperidine-2,6-dione (PubChem CID 170052283) has the molecular formula C16H20FNO2 and a molecular weight of 277.34 g/mol. Its IUPAC name is 3-(5-tert-butyl-4-fluoro-2-methylphenyl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(5-tert-butyl-4-fluoro-2-methylphenyl)piperidine-2,6-dione
PubChem CID170052283
Molecular FormulaC16H20FNO2
Molecular Weight277.34 g/mol
Exact Mass277.15
IUPAC Name3-(5-tert-butyl-4-fluoro-2-methylphenyl)piperidine-2,6-dione
SMILESCc1cc(F)c(C(C)(C)C)cc1C1CCC(=O)NC1=O
InChIInChI=1S/C16H20FNO2/c1-9-7-13(17)12(16(2,3)4)8-11(9)10-5-6-14(19)18-15(10)20/h7-8,10H,5-6H2,1-4H3,(H,18,19,20)
InChIKeyFWADRUQCPXFIQR-UHFFFAOYSA-N
XLogP2.95
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.95
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

ethane;3-(2-fluoro-4-methylphenyl)piperidine-2,6-dione
CID 176684006
3-(2-fluoro-4,6-dimethylphenyl)piperidine-2,6-dione
CID 170979047
3-(6-tert-butyl-2-methyl-3-pyridinyl)piperidine-2,6-dione
CID 170144934
3-(4-tert-butyl-2-methylphenyl)-6-methylidenepiperidin-2-one
CID 170079675
butane;3-(2,6-difluoro-4-methylphenyl)piperidine-2,6-dione
CID 172617426
tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)-4-methylphenyl]piperazine-1-carboxylate
CID 170979417
3-(5-fluoro-2-methylquinolin-3-yl)piperidine-2,6-dione
CID 164563329
3-(2-chloro-3-fluoro-5-propan-2-ylphenyl)piperidine-2,6-dione
CID 176558861
3-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-fluorophenyl]piperidine-2,6-dione
CID 168874469
3-(6-tert-butyl-2-methoxy-3-pyridinyl)piperidine-2,6-dione
CID 170132586
2-tert-butyl-5-(2,6-dioxopiperidin-3-yl)benzonitrile
CID 174179956
3-[5-propan-2-yl-2-(trifluoromethyl)phenyl]piperidine-2,6-dione
CID 170052287

Frequently Asked Questions

What is the IUPAC name of 3-(5-tert-butyl-4-fluoro-2-methylphenyl)piperidine-2,6-dione?
The IUPAC name of 3-(5-tert-butyl-4-fluoro-2-methylphenyl)piperidine-2,6-dione (CID 170052283) is 3-(5-tert-butyl-4-fluoro-2-methylphenyl)piperidine-2,6-dione.
What is the SMILES notation for 3-(5-tert-butyl-4-fluoro-2-methylphenyl)piperidine-2,6-dione?
The canonical SMILES for 3-(5-tert-butyl-4-fluoro-2-methylphenyl)piperidine-2,6-dione is Cc1cc(F)c(C(C)(C)C)cc1C1CCC(=O)NC1=O.
What is the InChIKey of 3-(5-tert-butyl-4-fluoro-2-methylphenyl)piperidine-2,6-dione?
The InChIKey is FWADRUQCPXFIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO2/c1-9-7-13(17)12(16(2,3)4)8-11(9)10-5-6-14(19)18-15(10)20/h7-8,10H,5-6H2,1-4H3,(H,18,19,20).
What are the key properties of 3-(5-tert-butyl-4-fluoro-2-methylphenyl)piperidine-2,6-dione?
3-(5-tert-butyl-4-fluoro-2-methylphenyl)piperidine-2,6-dione has a molecular weight of 277.34 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-tert-butyl-4-fluoro-2-methylphenyl)piperidine-2,6-dione is sourced from PubChem (CID 170052283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).