1-(2,3,5,6-tetrafluoro-4-piperazin-1-ylphenyl)piperazine

C14H18F4N4 — CID 74891876

IUPAC1-(2,3,5,6-tetrafluoro-4-piperazin-1-ylphenyl)piperazine
SMILESFc1c(F)c(N2CCNCC2)c(F)c(F)c1N1CCNCC1
InChIInChI=1S/C14H18F4N4/c15-9-11(17)14(22-7-3-20-4-8-22)12(18)10(16)13(9)21-5-1-19-2-6-21/h19-20H,1-8H2
InChIKeyLRTCJFIHCNYPQX-UHFFFAOYSA-N
MW318.32 g/mol
LogP1.06
Rot. Bonds2

About 1-(2,3,5,6-tetrafluoro-4-piperazin-1-ylphenyl)piperazine

1-(2,3,5,6-tetrafluoro-4-piperazin-1-ylphenyl)piperazine (PubChem CID 74891876) has the molecular formula C14H18F4N4 and a molecular weight of 318.32 g/mol. Its IUPAC name is 1-(2,3,5,6-tetrafluoro-4-piperazin-1-ylphenyl)piperazine.

Molecular Properties

Compound Name1-(2,3,5,6-tetrafluoro-4-piperazin-1-ylphenyl)piperazine
PubChem CID74891876
Molecular FormulaC14H18F4N4
Molecular Weight318.32 g/mol
Exact Mass318.15
IUPAC Name1-(2,3,5,6-tetrafluoro-4-piperazin-1-ylphenyl)piperazine
SMILESFc1c(F)c(N2CCNCC2)c(F)c(F)c1N1CCNCC1
InChIInChI=1S/C14H18F4N4/c15-9-11(17)14(22-7-3-20-4-8-22)12(18)10(16)13(9)21-5-1-19-2-6-21/h19-20H,1-8H2
InChIKeyLRTCJFIHCNYPQX-UHFFFAOYSA-N
XLogP1.06
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(Pentafluorophenyl)piperazine hydrochloride
CID 16196026
1-(2,6-Difluorophenyl)piperazine
CID 10932413
1-(2,4,6-Trifluorophenyl)piperazine
CID 18423111
1-(2,3,4,5,6-Pentafluorophenyl)piperazine
CID 2561708
N'-methyl-N'-[2-(2,3,4,5,6-pentafluoroanilino)ethyl]-N-(2,3,4,5,6-pentafluorophenyl)ethane-1,2-diamine
CID 15493264
1,4-Bis(1-piperazinyl)benzene
CID 10562391
1-(4-Fluorophenyl)-4-piperidin-4-ylpiperazine
CID 4133035
1-(4-Fluorophenyl)-4-(3-piperidinyl)piperazine
CID 43317043
N'-(2,3,4,5,6-pentafluorophenyl)ethane-1,2-diamine
CID 23234793
4-N-cyclohexyl-2,3,5,6-tetrafluorobenzene-1,4-diamine
CID 10635188
1-(2,4,5-Trifluorophenyl)piperazine
CID 11321882
N-methyl-2-[4-(2,4,6-trifluorophenyl)piperazin-1-yl]ethanamine
CID 20770715

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,5,6-tetrafluoro-4-piperazin-1-ylphenyl)piperazine?
The IUPAC name of 1-(2,3,5,6-tetrafluoro-4-piperazin-1-ylphenyl)piperazine (CID 74891876) is 1-(2,3,5,6-tetrafluoro-4-piperazin-1-ylphenyl)piperazine.
What is the SMILES notation for 1-(2,3,5,6-tetrafluoro-4-piperazin-1-ylphenyl)piperazine?
The canonical SMILES for 1-(2,3,5,6-tetrafluoro-4-piperazin-1-ylphenyl)piperazine is Fc1c(F)c(N2CCNCC2)c(F)c(F)c1N1CCNCC1.
What is the InChIKey of 1-(2,3,5,6-tetrafluoro-4-piperazin-1-ylphenyl)piperazine?
The InChIKey is LRTCJFIHCNYPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F4N4/c15-9-11(17)14(22-7-3-20-4-8-22)12(18)10(16)13(9)21-5-1-19-2-6-21/h19-20H,1-8H2.
What are the key properties of 1-(2,3,5,6-tetrafluoro-4-piperazin-1-ylphenyl)piperazine?
1-(2,3,5,6-tetrafluoro-4-piperazin-1-ylphenyl)piperazine has a molecular weight of 318.32 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,5,6-tetrafluoro-4-piperazin-1-ylphenyl)piperazine is sourced from PubChem (CID 74891876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).