1-[(3-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium

C19H25FN2O+2 — CID 2162791

IUPAC1-[(3-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium
SMILESCOc1ccc(C[NH+]2CC[NH+](Cc3cccc(F)c3)CC2)cc1
InChIInChI=1S/C19H23FN2O/c1-23-19-7-5-16(6-8-19)14-21-9-11-22(12-10-21)15-17-3-2-4-18(20)13-17/h2-8,13H,9-12,14-15H2,1H3/p+2
InChIKeyRSTHLMJAZGFWLM-UHFFFAOYSA-P
MW316.42 g/mol
LogP0.32
Rot. Bonds5

About 1-[(3-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium

1-[(3-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium (PubChem CID 2162791) has the molecular formula C19H25FN2O+2 and a molecular weight of 316.42 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium
PubChem CID2162791
Molecular FormulaC19H25FN2O+2
Molecular Weight316.42 g/mol
Exact Mass316.19
IUPAC Name1-[(3-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium
SMILESCOc1ccc(C[NH+]2CC[NH+](Cc3cccc(F)c3)CC2)cc1
InChIInChI=1S/C19H23FN2O/c1-23-19-7-5-16(6-8-19)14-21-9-11-22(12-10-21)15-17-3-2-4-18(20)13-17/h2-8,13H,9-12,14-15H2,1H3/p+2
InChIKeyRSTHLMJAZGFWLM-UHFFFAOYSA-P
XLogP0.32
TPSA18.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-[(3-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-ethoxyphenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazine-1,4-diium
CID 5064867
1-[(4-ethylphenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazine-1,4-diium
CID 7027955
1-[(2,5-dimethoxyphenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine-1,4-diium
CID 4741913
1-[(4-methoxyphenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine-1,4-diium
CID 4755149
1-[(3-methoxyphenyl)methyl]-4-methylpiperazine-1,4-diium
CID 7439611
1-[(4-fluorophenyl)methyl]-4-(naphthalen-2-ylmethyl)piperazine-1,4-diium
CID 4744293
1-(furan-2-ylmethyl)-4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium
CID 4741925
N-(2,5-difluorophenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide
CID 9130177
5-fluoro-1-[[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]indole-2,3-dione
CID 9325347
1-(4-fluorophenyl)-4-[(3-methoxyphenyl)methyl]piperazin-4-ium
CID 6939415
2-[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 8721316
13-[(4-methoxyphenyl)methyl]-1,4,7,10-tetraoxa-13-azoniacyclopentadecane
CID 7065404

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium (CID 2162791) is 1-[(3-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium is COc1ccc(C[NH+]2CC[NH+](Cc3cccc(F)c3)CC2)cc1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium?
The InChIKey is RSTHLMJAZGFWLM-UHFFFAOYSA-P. The full InChI is InChI=1S/C19H23FN2O/c1-23-19-7-5-16(6-8-19)14-21-9-11-22(12-10-21)15-17-3-2-4-18(20)13-17/h2-8,13H,9-12,14-15H2,1H3/p+2.
What are the key properties of 1-[(3-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium?
1-[(3-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium has a molecular weight of 316.42 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium is sourced from PubChem (CID 2162791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).