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

C16H20FNO2 — CID 79454418

IUPAC3-(2-fluorophenyl)-4-methyl-4-(2-methylpropyl)piperidine-2,6-dione
SMILESCC(C)CC1(C)CC(=O)NC(=O)C1c1ccccc1F
InChIInChI=1S/C16H20FNO2/c1-10(2)8-16(3)9-13(19)18-15(20)14(16)11-6-4-5-7-12(11)17/h4-7,10,14H,8-9H2,1-3H3,(H,18,19,20)
InChIKeyDAVHAWYWYNHJNM-UHFFFAOYSA-N
MW277.34 g/mol
LogP3.01
Rot. Bonds3

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

3-(2-fluorophenyl)-4-methyl-4-(2-methylpropyl)piperidine-2,6-dione (PubChem CID 79454418) has the molecular formula C16H20FNO2 and a molecular weight of 277.34 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-4-methyl-4-(2-methylpropyl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(2-fluorophenyl)-4-methyl-4-(2-methylpropyl)piperidine-2,6-dione
PubChem CID79454418
Molecular FormulaC16H20FNO2
Molecular Weight277.34 g/mol
Exact Mass277.15
IUPAC Name3-(2-fluorophenyl)-4-methyl-4-(2-methylpropyl)piperidine-2,6-dione
SMILESCC(C)CC1(C)CC(=O)NC(=O)C1c1ccccc1F
InChIInChI=1S/C16H20FNO2/c1-10(2)8-16(3)9-13(19)18-15(20)14(16)11-6-4-5-7-12(11)17/h4-7,10,14H,8-9H2,1-3H3,(H,18,19,20)
InChIKeyDAVHAWYWYNHJNM-UHFFFAOYSA-N
XLogP3.01
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-4-methyl-4-(2-methylpropyl)piperidine-2,6-dione?
The IUPAC name of 3-(2-fluorophenyl)-4-methyl-4-(2-methylpropyl)piperidine-2,6-dione (CID 79454418) is 3-(2-fluorophenyl)-4-methyl-4-(2-methylpropyl)piperidine-2,6-dione.
What is the SMILES notation for 3-(2-fluorophenyl)-4-methyl-4-(2-methylpropyl)piperidine-2,6-dione?
The canonical SMILES for 3-(2-fluorophenyl)-4-methyl-4-(2-methylpropyl)piperidine-2,6-dione is CC(C)CC1(C)CC(=O)NC(=O)C1c1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-4-methyl-4-(2-methylpropyl)piperidine-2,6-dione?
The InChIKey is DAVHAWYWYNHJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO2/c1-10(2)8-16(3)9-13(19)18-15(20)14(16)11-6-4-5-7-12(11)17/h4-7,10,14H,8-9H2,1-3H3,(H,18,19,20).
What are the key properties of 3-(2-fluorophenyl)-4-methyl-4-(2-methylpropyl)piperidine-2,6-dione?
3-(2-fluorophenyl)-4-methyl-4-(2-methylpropyl)piperidine-2,6-dione has a molecular weight of 277.34 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-4-methyl-4-(2-methylpropyl)piperidine-2,6-dione is sourced from PubChem (CID 79454418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).