1-amino-3-(2,5-difluorophenyl)piperidin-2-one

C11H12F2N2O — CID 66839492

IUPAC1-amino-3-(2,5-difluorophenyl)piperidin-2-one
SMILESNN1CCCC(c2cc(F)ccc2F)C1=O
InChIInChI=1S/C11H12F2N2O/c12-7-3-4-10(13)9(6-7)8-2-1-5-15(14)11(8)16/h3-4,6,8H,1-2,5,14H2
InChIKeyRUXRVVVVWPANOG-UHFFFAOYSA-N
MW226.23 g/mol
LogP1.54
Rot. Bonds1

About 1-amino-3-(2,5-difluorophenyl)piperidin-2-one

1-amino-3-(2,5-difluorophenyl)piperidin-2-one (PubChem CID 66839492) has the molecular formula C11H12F2N2O and a molecular weight of 226.23 g/mol. Its IUPAC name is 1-amino-3-(2,5-difluorophenyl)piperidin-2-one.

Molecular Properties

Compound Name1-amino-3-(2,5-difluorophenyl)piperidin-2-one
PubChem CID66839492
Molecular FormulaC11H12F2N2O
Molecular Weight226.23 g/mol
Exact Mass226.09
IUPAC Name1-amino-3-(2,5-difluorophenyl)piperidin-2-one
SMILESNN1CCCC(c2cc(F)ccc2F)C1=O
InChIInChI=1S/C11H12F2N2O/c12-7-3-4-10(13)9(6-7)8-2-1-5-15(14)11(8)16/h3-4,6,8H,1-2,5,14H2
InChIKeyRUXRVVVVWPANOG-UHFFFAOYSA-N
XLogP1.54
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2,5-difluorophenyl)piperidin-2-one?
The IUPAC name of 1-amino-3-(2,5-difluorophenyl)piperidin-2-one (CID 66839492) is 1-amino-3-(2,5-difluorophenyl)piperidin-2-one.
What is the SMILES notation for 1-amino-3-(2,5-difluorophenyl)piperidin-2-one?
The canonical SMILES for 1-amino-3-(2,5-difluorophenyl)piperidin-2-one is NN1CCCC(c2cc(F)ccc2F)C1=O.
What is the InChIKey of 1-amino-3-(2,5-difluorophenyl)piperidin-2-one?
The InChIKey is RUXRVVVVWPANOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O/c12-7-3-4-10(13)9(6-7)8-2-1-5-15(14)11(8)16/h3-4,6,8H,1-2,5,14H2.
What are the key properties of 1-amino-3-(2,5-difluorophenyl)piperidin-2-one?
1-amino-3-(2,5-difluorophenyl)piperidin-2-one has a molecular weight of 226.23 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2,5-difluorophenyl)piperidin-2-one is sourced from PubChem (CID 66839492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).