1-(2-amino-4,6-difluorophenyl)-4,4-dimethylpiperidine-2,6-dione

C13H14F2N2O2 — CID 81309823

IUPAC1-(2-amino-4,6-difluorophenyl)-4,4-dimethylpiperidine-2,6-dione
SMILESCC1(C)CC(=O)N(c2c(N)cc(F)cc2F)C(=O)C1
InChIInChI=1S/C13H14F2N2O2/c1-13(2)5-10(18)17(11(19)6-13)12-8(15)3-7(14)4-9(12)16/h3-4H,5-6,16H2,1-2H3
InChIKeyPELOCXORBMKMBG-UHFFFAOYSA-N
MW268.26 g/mol
LogP2.23
Rot. Bonds1

About 1-(2-amino-4,6-difluorophenyl)-4,4-dimethylpiperidine-2,6-dione

1-(2-amino-4,6-difluorophenyl)-4,4-dimethylpiperidine-2,6-dione (PubChem CID 81309823) has the molecular formula C13H14F2N2O2 and a molecular weight of 268.26 g/mol. Its IUPAC name is 1-(2-amino-4,6-difluorophenyl)-4,4-dimethylpiperidine-2,6-dione.

Molecular Properties

Compound Name1-(2-amino-4,6-difluorophenyl)-4,4-dimethylpiperidine-2,6-dione
PubChem CID81309823
Molecular FormulaC13H14F2N2O2
Molecular Weight268.26 g/mol
Exact Mass268.10
IUPAC Name1-(2-amino-4,6-difluorophenyl)-4,4-dimethylpiperidine-2,6-dione
SMILESCC1(C)CC(=O)N(c2c(N)cc(F)cc2F)C(=O)C1
InChIInChI=1S/C13H14F2N2O2/c1-13(2)5-10(18)17(11(19)6-13)12-8(15)3-7(14)4-9(12)16/h3-4H,5-6,16H2,1-2H3
InChIKeyPELOCXORBMKMBG-UHFFFAOYSA-N
XLogP2.23
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-amino-4,6-difluorophenyl)-3-azabicyclo[3.2.1]octane-2,4-dione
CID 103551356
1-(2-amino-4,6-difluorophenyl)pyrrolidin-2-one
CID 81310286
1-(5-amino-2-fluorophenyl)-4,4-dimethylpiperidine-2,6-dione
CID 62930708
1-(2-amino-4,6-difluorophenyl)-4-ethynylpyrrolidin-2-one
CID 168502733
1-(2-amino-4,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168698300
1-(2-amino-4,6-difluorophenyl)-4-(bromomethyl)pyrrolidin-2-one
CID 168506053
1-(3-amino-4-methylphenyl)-4,4-dimethylpiperidine-2,6-dione
CID 62931387
1-(2-amino-4-fluorophenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
CID 43437281
1-[3-(aminomethyl)-4-fluorophenyl]-4,4-dimethylpiperidine-2,6-dione
CID 55155376
1-(2-amino-4-bromophenyl)-4,4-dimethylpiperidine-2,6-dione
CID 62931389
3,5-difluoro-2-morpholin-4-ylaniline
CID 81312473
3-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-4-fluorobenzoic acid
CID 62930025

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4,6-difluorophenyl)-4,4-dimethylpiperidine-2,6-dione?
The IUPAC name of 1-(2-amino-4,6-difluorophenyl)-4,4-dimethylpiperidine-2,6-dione (CID 81309823) is 1-(2-amino-4,6-difluorophenyl)-4,4-dimethylpiperidine-2,6-dione.
What is the SMILES notation for 1-(2-amino-4,6-difluorophenyl)-4,4-dimethylpiperidine-2,6-dione?
The canonical SMILES for 1-(2-amino-4,6-difluorophenyl)-4,4-dimethylpiperidine-2,6-dione is CC1(C)CC(=O)N(c2c(N)cc(F)cc2F)C(=O)C1.
What is the InChIKey of 1-(2-amino-4,6-difluorophenyl)-4,4-dimethylpiperidine-2,6-dione?
The InChIKey is PELOCXORBMKMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O2/c1-13(2)5-10(18)17(11(19)6-13)12-8(15)3-7(14)4-9(12)16/h3-4H,5-6,16H2,1-2H3.
What are the key properties of 1-(2-amino-4,6-difluorophenyl)-4,4-dimethylpiperidine-2,6-dione?
1-(2-amino-4,6-difluorophenyl)-4,4-dimethylpiperidine-2,6-dione has a molecular weight of 268.26 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4,6-difluorophenyl)-4,4-dimethylpiperidine-2,6-dione is sourced from PubChem (CID 81309823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).