1-[(2-amino-6-fluorophenyl)methyl]piperidine-2,6-dione

C12H13FN2O2 — CID 63331074

IUPAC1-[(2-amino-6-fluorophenyl)methyl]piperidine-2,6-dione
SMILESNc1cccc(F)c1CN1C(=O)CCCC1=O
InChIInChI=1S/C12H13FN2O2/c13-9-3-1-4-10(14)8(9)7-15-11(16)5-2-6-12(15)17/h1,3-4H,2,5-7,14H2
InChIKeyGLPZLHHVJTVTFH-UHFFFAOYSA-N
MW236.25 g/mol
LogP1.45
Rot. Bonds2

About 1-[(2-amino-6-fluorophenyl)methyl]piperidine-2,6-dione

1-[(2-amino-6-fluorophenyl)methyl]piperidine-2,6-dione (PubChem CID 63331074) has the molecular formula C12H13FN2O2 and a molecular weight of 236.25 g/mol. Its IUPAC name is 1-[(2-amino-6-fluorophenyl)methyl]piperidine-2,6-dione.

Molecular Properties

Compound Name1-[(2-amino-6-fluorophenyl)methyl]piperidine-2,6-dione
PubChem CID63331074
Molecular FormulaC12H13FN2O2
Molecular Weight236.25 g/mol
Exact Mass236.10
IUPAC Name1-[(2-amino-6-fluorophenyl)methyl]piperidine-2,6-dione
SMILESNc1cccc(F)c1CN1C(=O)CCCC1=O
InChIInChI=1S/C12H13FN2O2/c13-9-3-1-4-10(14)8(9)7-15-11(16)5-2-6-12(15)17/h1,3-4H,2,5-7,14H2
InChIKeyGLPZLHHVJTVTFH-UHFFFAOYSA-N
XLogP1.45
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 51.45
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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Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-6-fluorophenyl)methyl]piperidine-2,6-dione?
The IUPAC name of 1-[(2-amino-6-fluorophenyl)methyl]piperidine-2,6-dione (CID 63331074) is 1-[(2-amino-6-fluorophenyl)methyl]piperidine-2,6-dione.
What is the SMILES notation for 1-[(2-amino-6-fluorophenyl)methyl]piperidine-2,6-dione?
The canonical SMILES for 1-[(2-amino-6-fluorophenyl)methyl]piperidine-2,6-dione is Nc1cccc(F)c1CN1C(=O)CCCC1=O.
What is the InChIKey of 1-[(2-amino-6-fluorophenyl)methyl]piperidine-2,6-dione?
The InChIKey is GLPZLHHVJTVTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O2/c13-9-3-1-4-10(14)8(9)7-15-11(16)5-2-6-12(15)17/h1,3-4H,2,5-7,14H2.
What are the key properties of 1-[(2-amino-6-fluorophenyl)methyl]piperidine-2,6-dione?
1-[(2-amino-6-fluorophenyl)methyl]piperidine-2,6-dione has a molecular weight of 236.25 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-6-fluorophenyl)methyl]piperidine-2,6-dione is sourced from PubChem (CID 63331074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).