1-(3,4-difluorophenyl)piperazine

C10H12F2N2 — CID 2783122

IUPAC1-(3,4-difluorophenyl)piperazine
SMILESFc1ccc(N2CCNCC2)cc1F
InChIInChI=1S/C10H12F2N2/c11-9-2-1-8(7-10(9)12)14-5-3-13-4-6-14/h1-2,7,13H,3-6H2
InChIKeyVRVIKRZIQWEYFB-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.37
Rot. Bonds1

About 1-(3,4-difluorophenyl)piperazine

1-(3,4-difluorophenyl)piperazine (PubChem CID 2783122) has the molecular formula C10H12F2N2 and a molecular weight of 198.22 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)piperazine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)piperazine
PubChem CID2783122
Molecular FormulaC10H12F2N2
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name1-(3,4-difluorophenyl)piperazine
SMILESFc1ccc(N2CCNCC2)cc1F
InChIInChI=1S/C10H12F2N2/c11-9-2-1-8(7-10(9)12)14-5-3-13-4-6-14/h1-2,7,13H,3-6H2
InChIKeyVRVIKRZIQWEYFB-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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Related Compounds

1-(3-fluoro-4-methylsulfonylphenyl)piperazine
CID 69037581
1-(4-chloro-3,5-difluorophenyl)piperazine
CID 84795776
4-(3-fluoro-4-piperazin-1-ylphenyl)-1,4-thiazinane 1-oxide
CID 135346960
azane;1-(4-fluorophenyl)piperazine;platinum;dihydrochloride
CID 71542549
2-fluoro-N-methyl-4-piperazin-1-ylbenzamide
CID 133083293
1-[3,5-difluoro-4-(trifluoromethyl)phenyl]piperazine
CID 176727239
1-(3,4-dimethylphenyl)piperazine;hydrochloride
CID 56766536
2-(hydroxymethyl)-5-piperazin-1-ylphenol
CID 84780243
1-[3-(4-fluoro-3-methylphenyl)phenyl]piperazine;hydrochloride
CID 154914779
2-(4-bromo-2-fluorophenyl)pyrimidine;2-(2-fluoro-4-piperazin-1-ylphenyl)pyrimidine;piperazine
CID 159739671
1-[3-(3-fluorophenyl)phenyl]piperazine
CID 82088997
ethane;1-(4-fluorophenyl)-1,4-diazepane
CID 168950071

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)piperazine?
The IUPAC name of 1-(3,4-difluorophenyl)piperazine (CID 2783122) is 1-(3,4-difluorophenyl)piperazine.
What is the SMILES notation for 1-(3,4-difluorophenyl)piperazine?
The canonical SMILES for 1-(3,4-difluorophenyl)piperazine is Fc1ccc(N2CCNCC2)cc1F.
What is the InChIKey of 1-(3,4-difluorophenyl)piperazine?
The InChIKey is VRVIKRZIQWEYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2/c11-9-2-1-8(7-10(9)12)14-5-3-13-4-6-14/h1-2,7,13H,3-6H2.
What are the key properties of 1-(3,4-difluorophenyl)piperazine?
1-(3,4-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-(3,4-difluorophenyl)piperazine is sourced from PubChem (CID 2783122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).