1-(3,5-difluorophenyl)piperazine

C10H12F2N2 — CID 10987219

IUPAC1-(3,5-difluorophenyl)piperazine
SMILESFc1cc(F)cc(N2CCNCC2)c1
InChIInChI=1S/C10H12F2N2/c11-8-5-9(12)7-10(6-8)14-3-1-13-2-4-14/h5-7,13H,1-4H2
InChIKeyTWSOQIHDPMMWAJ-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.37
Rot. Bonds1

About 1-(3,5-difluorophenyl)piperazine

1-(3,5-difluorophenyl)piperazine (PubChem CID 10987219) has the molecular formula C10H12F2N2 and a molecular weight of 198.22 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)piperazine.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)piperazine
PubChem CID10987219
Molecular FormulaC10H12F2N2
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name1-(3,5-difluorophenyl)piperazine
SMILESFc1cc(F)cc(N2CCNCC2)c1
InChIInChI=1S/C10H12F2N2/c11-8-5-9(12)7-10(6-8)14-3-1-13-2-4-14/h5-7,13H,1-4H2
InChIKeyTWSOQIHDPMMWAJ-UHFFFAOYSA-N
XLogP1.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)piperazine?
The IUPAC name of 1-(3,5-difluorophenyl)piperazine (CID 10987219) is 1-(3,5-difluorophenyl)piperazine.
What is the SMILES notation for 1-(3,5-difluorophenyl)piperazine?
The canonical SMILES for 1-(3,5-difluorophenyl)piperazine is Fc1cc(F)cc(N2CCNCC2)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)piperazine?
The InChIKey is TWSOQIHDPMMWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2/c11-8-5-9(12)7-10(6-8)14-3-1-13-2-4-14/h5-7,13H,1-4H2.
What are the key properties of 1-(3,5-difluorophenyl)piperazine?
1-(3,5-difluorophenyl)piperazine has a molecular weight of 198.22 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)piperazine is sourced from PubChem (CID 10987219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).