1-(2-fluorophenyl)-4-[(3-fluorophenyl)methyl]piperazin-4-ium

C17H19F2N2+ — CID 2173520

IUPAC1-(2-fluorophenyl)-4-[(3-fluorophenyl)methyl]piperazin-4-ium
SMILESFc1cccc(C[NH+]2CCN(c3ccccc3F)CC2)c1
InChIInChI=1S/C17H18F2N2/c18-15-5-3-4-14(12-15)13-20-8-10-21(11-9-20)17-7-2-1-6-16(17)19/h1-7,12H,8-11,13H2/p+1
InChIKeyJOADAJFRKKCRPP-UHFFFAOYSA-O
MW289.35 g/mol
LogP1.87
Rot. Bonds3

About 1-(2-fluorophenyl)-4-[(3-fluorophenyl)methyl]piperazin-4-ium

1-(2-fluorophenyl)-4-[(3-fluorophenyl)methyl]piperazin-4-ium (PubChem CID 2173520) has the molecular formula C17H19F2N2+ and a molecular weight of 289.35 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-4-[(3-fluorophenyl)methyl]piperazin-4-ium.

Molecular Properties

Compound Name1-(2-fluorophenyl)-4-[(3-fluorophenyl)methyl]piperazin-4-ium
PubChem CID2173520
Molecular FormulaC17H19F2N2+
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name1-(2-fluorophenyl)-4-[(3-fluorophenyl)methyl]piperazin-4-ium
SMILESFc1cccc(C[NH+]2CCN(c3ccccc3F)CC2)c1
InChIInChI=1S/C17H18F2N2/c18-15-5-3-4-14(12-15)13-20-8-10-21(11-9-20)17-7-2-1-6-16(17)19/h1-7,12H,8-11,13H2/p+1
InChIKeyJOADAJFRKKCRPP-UHFFFAOYSA-O
XLogP1.87
TPSA7.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenol
CID 8528521
1-[(2,4-difluorophenyl)methyl]-4-(2-fluorophenyl)piperazin-1-ium
CID 6939728
1-(1,3-benzodioxol-5-ylmethyl)-4-(2-fluorophenyl)piperazin-1-ium
CID 6944085
1-(2-fluorophenyl)-4-[(4-phenylphenyl)methyl]piperazin-4-ium
CID 7047568
2,6-ditert-butyl-4-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]phenol
CID 7047458
1-(2-fluorophenyl)-4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazin-4-ium
CID 7441126
4-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]benzoate
CID 7013726
1-[1-[(3-fluorophenyl)methyl]piperidin-1-ium-4-yl]-4-phenylpiperazin-1-ium
CID 7403675
1-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]-2,2-diphenylethanone
CID 4754551
[4-(2-fluorophenyl)piperazin-1-yl]-[1-[(3-hydroxyphenyl)methyl]piperidin-1-ium-4-yl]methanone
CID 6966312
2-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]phenol
CID 8529078
4-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-methylfuran-2-carboxylate
CID 42185100

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-4-[(3-fluorophenyl)methyl]piperazin-4-ium?
The IUPAC name of 1-(2-fluorophenyl)-4-[(3-fluorophenyl)methyl]piperazin-4-ium (CID 2173520) is 1-(2-fluorophenyl)-4-[(3-fluorophenyl)methyl]piperazin-4-ium.
What is the SMILES notation for 1-(2-fluorophenyl)-4-[(3-fluorophenyl)methyl]piperazin-4-ium?
The canonical SMILES for 1-(2-fluorophenyl)-4-[(3-fluorophenyl)methyl]piperazin-4-ium is Fc1cccc(C[NH+]2CCN(c3ccccc3F)CC2)c1.
What is the InChIKey of 1-(2-fluorophenyl)-4-[(3-fluorophenyl)methyl]piperazin-4-ium?
The InChIKey is JOADAJFRKKCRPP-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H18F2N2/c18-15-5-3-4-14(12-15)13-20-8-10-21(11-9-20)17-7-2-1-6-16(17)19/h1-7,12H,8-11,13H2/p+1.
What are the key properties of 1-(2-fluorophenyl)-4-[(3-fluorophenyl)methyl]piperazin-4-ium?
1-(2-fluorophenyl)-4-[(3-fluorophenyl)methyl]piperazin-4-ium has a molecular weight of 289.35 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-4-[(3-fluorophenyl)methyl]piperazin-4-ium is sourced from PubChem (CID 2173520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).