2-(2,5-difluorophenyl)-1,4-dimethylpiperazine

C12H16F2N2 — CID 116856393

IUPAC2-(2,5-difluorophenyl)-1,4-dimethylpiperazine
SMILESCN1CCN(C)C(c2cc(F)ccc2F)C1
InChIInChI=1S/C12H16F2N2/c1-15-5-6-16(2)12(8-15)10-7-9(13)3-4-11(10)14/h3-4,7,12H,5-6,8H2,1-2H3
InChIKeyCKWAEPUNGBNPFK-UHFFFAOYSA-N
MW226.27 g/mol
LogP1.88
Rot. Bonds1

About 2-(2,5-difluorophenyl)-1,4-dimethylpiperazine

2-(2,5-difluorophenyl)-1,4-dimethylpiperazine (PubChem CID 116856393) has the molecular formula C12H16F2N2 and a molecular weight of 226.27 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-1,4-dimethylpiperazine.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-1,4-dimethylpiperazine
PubChem CID116856393
Molecular FormulaC12H16F2N2
Molecular Weight226.27 g/mol
Exact Mass226.13
IUPAC Name2-(2,5-difluorophenyl)-1,4-dimethylpiperazine
SMILESCN1CCN(C)C(c2cc(F)ccc2F)C1
InChIInChI=1S/C12H16F2N2/c1-15-5-6-16(2)12(8-15)10-7-9(13)3-4-11(10)14/h3-4,7,12H,5-6,8H2,1-2H3
InChIKeyCKWAEPUNGBNPFK-UHFFFAOYSA-N
XLogP1.88
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-1,4-dimethylpiperazine?
The IUPAC name of 2-(2,5-difluorophenyl)-1,4-dimethylpiperazine (CID 116856393) is 2-(2,5-difluorophenyl)-1,4-dimethylpiperazine.
What is the SMILES notation for 2-(2,5-difluorophenyl)-1,4-dimethylpiperazine?
The canonical SMILES for 2-(2,5-difluorophenyl)-1,4-dimethylpiperazine is CN1CCN(C)C(c2cc(F)ccc2F)C1.
What is the InChIKey of 2-(2,5-difluorophenyl)-1,4-dimethylpiperazine?
The InChIKey is CKWAEPUNGBNPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2/c1-15-5-6-16(2)12(8-15)10-7-9(13)3-4-11(10)14/h3-4,7,12H,5-6,8H2,1-2H3.
What are the key properties of 2-(2,5-difluorophenyl)-1,4-dimethylpiperazine?
2-(2,5-difluorophenyl)-1,4-dimethylpiperazine has a molecular weight of 226.27 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-1,4-dimethylpiperazine is sourced from PubChem (CID 116856393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).