4-(4-fluorophenyl)-1,1-dimethylpiperazin-1-ium

C12H18FN2+ — CID 10903809

IUPAC4-(4-fluorophenyl)-1,1-dimethylpiperazin-1-ium
SMILESC[N+]1(C)CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C12H18FN2/c1-15(2)9-7-14(8-10-15)12-5-3-11(13)4-6-12/h3-6H,7-10H2,1-2H3/q+1
InChIKeyXWNDBFKGLWHCOA-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.72
Rot. Bonds1

About 4-(4-fluorophenyl)-1,1-dimethylpiperazin-1-ium

4-(4-fluorophenyl)-1,1-dimethylpiperazin-1-ium (PubChem CID 10903809) has the molecular formula C12H18FN2+ and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1,1-dimethylpiperazin-1-ium.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1,1-dimethylpiperazin-1-ium
PubChem CID10903809
Molecular FormulaC12H18FN2+
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name4-(4-fluorophenyl)-1,1-dimethylpiperazin-1-ium
SMILESC[N+]1(C)CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C12H18FN2/c1-15(2)9-7-14(8-10-15)12-5-3-11(13)4-6-12/h3-6H,7-10H2,1-2H3/q+1
InChIKeyXWNDBFKGLWHCOA-UHFFFAOYSA-N
XLogP1.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

4-(4,4-dimethylpiperazin-4-ium-1-yl)aniline
CID 18436406
1-(4-fluorophenyl)-4-sulfanylpiperazine
CID 123797629
13-(4-fluorophenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 102356016
ethane;1-(4-fluorophenyl)-4-propan-2-ylpiperazine
CID 144656780
1-(4-fluorophenyl)-4,6-dimethyl-1,5-diazocane
CID 54973091
ethane;1-(4-fluorophenyl)-1,4-diazepane
CID 168950071
azane;1-(4-fluorophenyl)piperazine;platinum;dihydrochloride
CID 71542549
1,1-dimethyl-4-(4-nitrophenyl)-1,4-diazepan-1-ium chloride
CID 69429847
4-[4-(4-fluorophenyl)piperazin-1-yl]benzaldehyde
CID 28603665
1-methyl-4-(4-methylphenyl)-1-oxidopiperazin-1-ium
CID 59343298
2-(4-fluorophenyl)-6-methyl-2,6-diazaspiro[3.3]heptane
CID 90325892
1-(4-fluorophenyl)piperidin-4-amine;hydrochloride
CID 53442031

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-1,1-dimethylpiperazin-1-ium?
The IUPAC name of 4-(4-fluorophenyl)-1,1-dimethylpiperazin-1-ium (CID 10903809) is 4-(4-fluorophenyl)-1,1-dimethylpiperazin-1-ium.
What is the SMILES notation for 4-(4-fluorophenyl)-1,1-dimethylpiperazin-1-ium?
The canonical SMILES for 4-(4-fluorophenyl)-1,1-dimethylpiperazin-1-ium is C[N+]1(C)CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 4-(4-fluorophenyl)-1,1-dimethylpiperazin-1-ium?
The InChIKey is XWNDBFKGLWHCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN2/c1-15(2)9-7-14(8-10-15)12-5-3-11(13)4-6-12/h3-6H,7-10H2,1-2H3/q+1.
What are the key properties of 4-(4-fluorophenyl)-1,1-dimethylpiperazin-1-ium?
4-(4-fluorophenyl)-1,1-dimethylpiperazin-1-ium has a molecular weight of 209.29 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-1,1-dimethylpiperazin-1-ium is sourced from PubChem (CID 10903809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).