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

C23H24FN2+ — CID 7047568

IUPAC1-(2-fluorophenyl)-4-[(4-phenylphenyl)methyl]piperazin-4-ium
SMILESFc1ccccc1N1CC[NH+](Cc2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C23H23FN2/c24-22-8-4-5-9-23(22)26-16-14-25(15-17-26)18-19-10-12-21(13-11-19)20-6-2-1-3-7-20/h1-13H,14-18H2/p+1
InChIKeyKSUGIETURQBMTK-UHFFFAOYSA-O
MW347.46 g/mol
LogP3.40
Rot. Bonds4

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

1-(2-fluorophenyl)-4-[(4-phenylphenyl)methyl]piperazin-4-ium (PubChem CID 7047568) has the molecular formula C23H24FN2+ and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-4-[(4-phenylphenyl)methyl]piperazin-4-ium.

Molecular Properties

Compound Name1-(2-fluorophenyl)-4-[(4-phenylphenyl)methyl]piperazin-4-ium
PubChem CID7047568
Molecular FormulaC23H24FN2+
Molecular Weight347.46 g/mol
Exact Mass347.19
IUPAC Name1-(2-fluorophenyl)-4-[(4-phenylphenyl)methyl]piperazin-4-ium
SMILESFc1ccccc1N1CC[NH+](Cc2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C23H23FN2/c24-22-8-4-5-9-23(22)26-16-14-25(15-17-26)18-19-10-12-21(13-11-19)20-6-2-1-3-7-20/h1-13H,14-18H2/p+1
InChIKeyKSUGIETURQBMTK-UHFFFAOYSA-O
XLogP3.40
TPSA7.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]benzoate
CID 7013726
1-(2-fluorophenyl)-4-[(3-fluorophenyl)methyl]piperazin-4-ium
CID 2173520
1-(1,3-benzodioxol-5-ylmethyl)-4-(2-fluorophenyl)piperazin-1-ium
CID 6944085
1-(2,5-dimethylphenyl)-4-[(4-phenylphenyl)methyl]piperazin-4-ium
CID 7441235
1-[(2,4-difluorophenyl)methyl]-4-(2-fluorophenyl)piperazin-1-ium
CID 6939728
1-(2-fluorophenyl)-4-[(4-hexoxyphenyl)methyl]piperazin-4-ium
CID 7441107
1-(2-fluorophenyl)-4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazin-4-ium
CID 7441126
4-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]naphthalen-1-ol
CID 2475720
2,6-ditert-butyl-4-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]phenol
CID 7047458
1-(2-fluorophenyl)-4-[(4-methoxy-2,3-dimethylphenyl)methyl]piperazin-4-ium
CID 6944337
1-(4-nitrophenyl)-4-[(4-phenylphenyl)methyl]piperazin-4-ium
CID 7060405
1-(2-fluorophenyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperazin-4-ium
CID 6962469

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-4-[(4-phenylphenyl)methyl]piperazin-4-ium?
The IUPAC name of 1-(2-fluorophenyl)-4-[(4-phenylphenyl)methyl]piperazin-4-ium (CID 7047568) is 1-(2-fluorophenyl)-4-[(4-phenylphenyl)methyl]piperazin-4-ium.
What is the SMILES notation for 1-(2-fluorophenyl)-4-[(4-phenylphenyl)methyl]piperazin-4-ium?
The canonical SMILES for 1-(2-fluorophenyl)-4-[(4-phenylphenyl)methyl]piperazin-4-ium is Fc1ccccc1N1CC[NH+](Cc2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of 1-(2-fluorophenyl)-4-[(4-phenylphenyl)methyl]piperazin-4-ium?
The InChIKey is KSUGIETURQBMTK-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H23FN2/c24-22-8-4-5-9-23(22)26-16-14-25(15-17-26)18-19-10-12-21(13-11-19)20-6-2-1-3-7-20/h1-13H,14-18H2/p+1.
What are the key properties of 1-(2-fluorophenyl)-4-[(4-phenylphenyl)methyl]piperazin-4-ium?
1-(2-fluorophenyl)-4-[(4-phenylphenyl)methyl]piperazin-4-ium has a molecular weight of 347.46 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-4-[(4-phenylphenyl)methyl]piperazin-4-ium is sourced from PubChem (CID 7047568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).