1-(5-amino-2-fluorophenyl)-4,4-dimethylpiperidine-2,6-dione

C13H15FN2O2 — CID 62930708

IUPAC1-(5-amino-2-fluorophenyl)-4,4-dimethylpiperidine-2,6-dione
SMILESCC1(C)CC(=O)N(c2cc(N)ccc2F)C(=O)C1
InChIInChI=1S/C13H15FN2O2/c1-13(2)6-11(17)16(12(18)7-13)10-5-8(15)3-4-9(10)14/h3-5H,6-7,15H2,1-2H3
InChIKeySFXHZDKIZSZYKZ-UHFFFAOYSA-N
MW250.27 g/mol
LogP2.09
Rot. Bonds1

About 1-(5-amino-2-fluorophenyl)-4,4-dimethylpiperidine-2,6-dione

1-(5-amino-2-fluorophenyl)-4,4-dimethylpiperidine-2,6-dione (PubChem CID 62930708) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is 1-(5-amino-2-fluorophenyl)-4,4-dimethylpiperidine-2,6-dione.

Molecular Properties

Compound Name1-(5-amino-2-fluorophenyl)-4,4-dimethylpiperidine-2,6-dione
PubChem CID62930708
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Name1-(5-amino-2-fluorophenyl)-4,4-dimethylpiperidine-2,6-dione
SMILESCC1(C)CC(=O)N(c2cc(N)ccc2F)C(=O)C1
InChIInChI=1S/C13H15FN2O2/c1-13(2)6-11(17)16(12(18)7-13)10-5-8(15)3-4-9(10)14/h3-5H,6-7,15H2,1-2H3
InChIKeySFXHZDKIZSZYKZ-UHFFFAOYSA-N
XLogP2.09
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 52.09
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-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-4-fluorobenzoic acid
CID 62930025
2-(5-amino-2-fluorophenyl)-2-azaspiro[4.5]decane-1,3-dione
CID 43437101
1-(5-amino-2-fluorophenyl)pyrrolidin-2-one
CID 16771885
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
1-(2-amino-4,6-difluorophenyl)-4,4-dimethylpiperidine-2,6-dione
CID 81309823
1-(2,5-difluorophenyl)-3-methyl-3-phenylpyrrolidine-2,5-dione
CID 47015641
5-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-2-fluorobenzenecarbothioamide
CID 62932417
(6S)-6-(5-amino-2-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one
CID 141279779
2-(5-amino-2-fluorophenyl)-5-bromoisoindole-1,3-dione
CID 43167704
3-(azetidin-1-yl)-4-fluoroaniline
CID 131275166
3-(3,3-diethylazetidin-1-yl)-4-fluoroaniline
CID 79678452

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2-fluorophenyl)-4,4-dimethylpiperidine-2,6-dione?
The IUPAC name of 1-(5-amino-2-fluorophenyl)-4,4-dimethylpiperidine-2,6-dione (CID 62930708) is 1-(5-amino-2-fluorophenyl)-4,4-dimethylpiperidine-2,6-dione.
What is the SMILES notation for 1-(5-amino-2-fluorophenyl)-4,4-dimethylpiperidine-2,6-dione?
The canonical SMILES for 1-(5-amino-2-fluorophenyl)-4,4-dimethylpiperidine-2,6-dione is CC1(C)CC(=O)N(c2cc(N)ccc2F)C(=O)C1.
What is the InChIKey of 1-(5-amino-2-fluorophenyl)-4,4-dimethylpiperidine-2,6-dione?
The InChIKey is SFXHZDKIZSZYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c1-13(2)6-11(17)16(12(18)7-13)10-5-8(15)3-4-9(10)14/h3-5H,6-7,15H2,1-2H3.
What are the key properties of 1-(5-amino-2-fluorophenyl)-4,4-dimethylpiperidine-2,6-dione?
1-(5-amino-2-fluorophenyl)-4,4-dimethylpiperidine-2,6-dione has a molecular weight of 250.27 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2-fluorophenyl)-4,4-dimethylpiperidine-2,6-dione is sourced from PubChem (CID 62930708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).