1-(2,4-difluorophenyl)-5,5-dimethylpiperazin-2-one

C12H14F2N2O — CID 66645688

IUPAC1-(2,4-difluorophenyl)-5,5-dimethylpiperazin-2-one
SMILESCC1(C)CN(c2ccc(F)cc2F)C(=O)CN1
InChIInChI=1S/C12H14F2N2O/c1-12(2)7-16(11(17)6-15-12)10-4-3-8(13)5-9(10)14/h3-5,15H,6-7H2,1-2H3
InChIKeyNXICWBVWYGQUJI-UHFFFAOYSA-N
MW240.25 g/mol
LogP1.68
Rot. Bonds1

About 1-(2,4-difluorophenyl)-5,5-dimethylpiperazin-2-one

1-(2,4-difluorophenyl)-5,5-dimethylpiperazin-2-one (PubChem CID 66645688) has the molecular formula C12H14F2N2O and a molecular weight of 240.25 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-5,5-dimethylpiperazin-2-one.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-5,5-dimethylpiperazin-2-one
PubChem CID66645688
Molecular FormulaC12H14F2N2O
Molecular Weight240.25 g/mol
Exact Mass240.11
IUPAC Name1-(2,4-difluorophenyl)-5,5-dimethylpiperazin-2-one
SMILESCC1(C)CN(c2ccc(F)cc2F)C(=O)CN1
InChIInChI=1S/C12H14F2N2O/c1-12(2)7-16(11(17)6-15-12)10-4-3-8(13)5-9(10)14/h3-5,15H,6-7H2,1-2H3
InChIKeyNXICWBVWYGQUJI-UHFFFAOYSA-N
XLogP1.68
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-5,5-dimethylpiperazin-2-one?
The IUPAC name of 1-(2,4-difluorophenyl)-5,5-dimethylpiperazin-2-one (CID 66645688) is 1-(2,4-difluorophenyl)-5,5-dimethylpiperazin-2-one.
What is the SMILES notation for 1-(2,4-difluorophenyl)-5,5-dimethylpiperazin-2-one?
The canonical SMILES for 1-(2,4-difluorophenyl)-5,5-dimethylpiperazin-2-one is CC1(C)CN(c2ccc(F)cc2F)C(=O)CN1.
What is the InChIKey of 1-(2,4-difluorophenyl)-5,5-dimethylpiperazin-2-one?
The InChIKey is NXICWBVWYGQUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O/c1-12(2)7-16(11(17)6-15-12)10-4-3-8(13)5-9(10)14/h3-5,15H,6-7H2,1-2H3.
What are the key properties of 1-(2,4-difluorophenyl)-5,5-dimethylpiperazin-2-one?
1-(2,4-difluorophenyl)-5,5-dimethylpiperazin-2-one has a molecular weight of 240.25 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-5,5-dimethylpiperazin-2-one is sourced from PubChem (CID 66645688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).