1-(2,4-difluorophenyl)piperazin-4-ium

C10H13F2N2+ — CID 7004236

IUPAC1-(2,4-difluorophenyl)piperazin-4-ium
SMILESFc1ccc(N2CC[NH2+]CC2)c(F)c1
InChIInChI=1S/C10H12F2N2/c11-8-1-2-10(9(12)7-8)14-5-3-13-4-6-14/h1-2,7,13H,3-6H2/p+1
InChIKeyCMCSPBOWEYUGHB-UHFFFAOYSA-O
MW199.22 g/mol
LogP0.35
Rot. Bonds1

About 1-(2,4-difluorophenyl)piperazin-4-ium

1-(2,4-difluorophenyl)piperazin-4-ium (PubChem CID 7004236) has the molecular formula C10H13F2N2+ and a molecular weight of 199.22 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)piperazin-4-ium.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)piperazin-4-ium
PubChem CID7004236
Molecular FormulaC10H13F2N2+
Molecular Weight199.22 g/mol
Exact Mass199.10
IUPAC Name1-(2,4-difluorophenyl)piperazin-4-ium
SMILESFc1ccc(N2CC[NH2+]CC2)c(F)c1
InChIInChI=1S/C10H12F2N2/c11-8-1-2-10(9(12)7-8)14-5-3-13-4-6-14/h1-2,7,13H,3-6H2/p+1
InChIKeyCMCSPBOWEYUGHB-UHFFFAOYSA-O
XLogP0.35
TPSA19.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-difluorophenyl)piperidin-4-ol
CID 10584688
1-deuterio-4-(2,4-difluorophenyl)piperazine
CID 175828610
1-(2,4-difluorophenyl)piperazine;pyrrolidine
CID 143374840
1-(2,4-difluorophenyl)-4-propan-2-ylpiperazine
CID 20613804
8-(2,4-difluorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 20770651
2-[4-(2,4-difluorophenyl)piperazin-1-yl]acetonitrile
CID 82116841
1-(2,4-difluorophenyl)pyrrolidin-3-one
CID 23053066
1-[4-(2,4-difluorophenyl)piperazin-1-yl]prop-2-en-1-one
CID 138106003
1-benzyl-4-(2,4-difluorophenyl)piperazine
CID 110454865
1-(5-chloro-2-pyridinyl)-4-(2,4-difluorophenyl)piperazine
CID 163356497
6-fluoro-4-piperazin-4-ium-1-yl-2-(trifluoromethyl)quinoline
CID 7006504
1-(2,4-difluorophenyl)-4-hexylpiperazine
CID 59254947

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)piperazin-4-ium?
The IUPAC name of 1-(2,4-difluorophenyl)piperazin-4-ium (CID 7004236) is 1-(2,4-difluorophenyl)piperazin-4-ium.
What is the SMILES notation for 1-(2,4-difluorophenyl)piperazin-4-ium?
The canonical SMILES for 1-(2,4-difluorophenyl)piperazin-4-ium is Fc1ccc(N2CC[NH2+]CC2)c(F)c1.
What is the InChIKey of 1-(2,4-difluorophenyl)piperazin-4-ium?
The InChIKey is CMCSPBOWEYUGHB-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H12F2N2/c11-8-1-2-10(9(12)7-8)14-5-3-13-4-6-14/h1-2,7,13H,3-6H2/p+1.
What are the key properties of 1-(2,4-difluorophenyl)piperazin-4-ium?
1-(2,4-difluorophenyl)piperazin-4-ium has a molecular weight of 199.22 g/mol, XLogP of 0.35, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)piperazin-4-ium is sourced from PubChem (CID 7004236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).