1-(4,5-difluoro-2-methylphenyl)piperazine

C11H14F2N2 — CID 84782277

IUPAC1-(4,5-difluoro-2-methylphenyl)piperazine
SMILESCc1cc(F)c(F)cc1N1CCNCC1
InChIInChI=1S/C11H14F2N2/c1-8-6-9(12)10(13)7-11(8)15-4-2-14-3-5-15/h6-7,14H,2-5H2,1H3
InChIKeyPIZFNPZMLCYOTH-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.68
Rot. Bonds1

About 1-(4,5-difluoro-2-methylphenyl)piperazine

1-(4,5-difluoro-2-methylphenyl)piperazine (PubChem CID 84782277) has the molecular formula C11H14F2N2 and a molecular weight of 212.24 g/mol. Its IUPAC name is 1-(4,5-difluoro-2-methylphenyl)piperazine.

Molecular Properties

Compound Name1-(4,5-difluoro-2-methylphenyl)piperazine
PubChem CID84782277
Molecular FormulaC11H14F2N2
Molecular Weight212.24 g/mol
Exact Mass212.11
IUPAC Name1-(4,5-difluoro-2-methylphenyl)piperazine
SMILESCc1cc(F)c(F)cc1N1CCNCC1
InChIInChI=1S/C11H14F2N2/c1-8-6-9(12)10(13)7-11(8)15-4-2-14-3-5-15/h6-7,14H,2-5H2,1H3
InChIKeyPIZFNPZMLCYOTH-UHFFFAOYSA-N
XLogP1.68
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
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-(4,5-difluoro-2-methylphenyl)piperazine?
The IUPAC name of 1-(4,5-difluoro-2-methylphenyl)piperazine (CID 84782277) is 1-(4,5-difluoro-2-methylphenyl)piperazine.
What is the SMILES notation for 1-(4,5-difluoro-2-methylphenyl)piperazine?
The canonical SMILES for 1-(4,5-difluoro-2-methylphenyl)piperazine is Cc1cc(F)c(F)cc1N1CCNCC1.
What is the InChIKey of 1-(4,5-difluoro-2-methylphenyl)piperazine?
The InChIKey is PIZFNPZMLCYOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2/c1-8-6-9(12)10(13)7-11(8)15-4-2-14-3-5-15/h6-7,14H,2-5H2,1H3.
What are the key properties of 1-(4,5-difluoro-2-methylphenyl)piperazine?
1-(4,5-difluoro-2-methylphenyl)piperazine has a molecular weight of 212.24 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-(4,5-difluoro-2-methylphenyl)piperazine is sourced from PubChem (CID 84782277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).