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

C25H28FN2O2+ — CID 7441126

IUPAC1-(2-fluorophenyl)-4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazin-4-ium
SMILESCOc1ccc(C[NH+]2CCN(c3ccccc3F)CC2)cc1OCc1ccccc1
InChIInChI=1S/C25H27FN2O2/c1-29-24-12-11-21(17-25(24)30-19-20-7-3-2-4-8-20)18-27-13-15-28(16-14-27)23-10-6-5-9-22(23)26/h2-12,17H,13-16,18-19H2,1H3/p+1
InChIKeyWSNGMCJYSLUZDS-UHFFFAOYSA-O
MW407.51 g/mol
LogP3.32
Rot. Bonds7

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

1-(2-fluorophenyl)-4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazin-4-ium (PubChem CID 7441126) has the molecular formula C25H28FN2O2+ and a molecular weight of 407.51 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazin-4-ium.

Molecular Properties

Compound Name1-(2-fluorophenyl)-4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazin-4-ium
PubChem CID7441126
Molecular FormulaC25H28FN2O2+
Molecular Weight407.51 g/mol
Exact Mass407.21
IUPAC Name1-(2-fluorophenyl)-4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazin-4-ium
SMILESCOc1ccc(C[NH+]2CCN(c3ccccc3F)CC2)cc1OCc1ccccc1
InChIInChI=1S/C25H27FN2O2/c1-29-24-12-11-21(17-25(24)30-19-20-7-3-2-4-8-20)18-27-13-15-28(16-14-27)23-10-6-5-9-22(23)26/h2-12,17H,13-16,18-19H2,1H3/p+1
InChIKeyWSNGMCJYSLUZDS-UHFFFAOYSA-O
XLogP3.32
TPSA26.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-phenylpiperazin-1-ium
CID 7440782
1-[(4-fluorophenyl)methyl]-4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazine-1,4-diium
CID 7334786
1-(2-fluorophenyl)-4-[(3-fluorophenyl)methyl]piperazin-4-ium
CID 2173520
1-(2-fluorophenyl)-4-[(4-methoxy-2,3-dimethylphenyl)methyl]piperazin-4-ium
CID 6944337
1-(2-fluorophenyl)-4-[(4-phenylphenyl)methyl]piperazin-4-ium
CID 7047568
1-[(4-methoxy-3-methylphenyl)methyl]-4-(2-methoxyphenyl)piperazin-1-ium
CID 6944346
1-(2-ethoxyphenyl)-4-[(4-methoxy-3-methylphenyl)methyl]piperazin-4-ium
CID 6940003
2,6-dimethoxy-4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]phenol
CID 6961984
1-(2-chlorophenyl)-4-[(4-methoxy-3-methylphenyl)methyl]piperazin-4-ium
CID 6936837
1-(1,3-benzodioxol-5-ylmethyl)-4-(2-fluorophenyl)piperazin-1-ium
CID 6944085
1-(2-methoxyphenyl)-4-[(3-methylphenyl)methyl]piperazin-4-ium
CID 6940048
1-[(3-bromophenyl)methyl]-4-(2-methoxyphenyl)piperazin-1-ium
CID 6968377

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazin-4-ium?
The IUPAC name of 1-(2-fluorophenyl)-4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazin-4-ium (CID 7441126) is 1-(2-fluorophenyl)-4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazin-4-ium.
What is the SMILES notation for 1-(2-fluorophenyl)-4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazin-4-ium?
The canonical SMILES for 1-(2-fluorophenyl)-4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazin-4-ium is COc1ccc(C[NH+]2CCN(c3ccccc3F)CC2)cc1OCc1ccccc1.
What is the InChIKey of 1-(2-fluorophenyl)-4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazin-4-ium?
The InChIKey is WSNGMCJYSLUZDS-UHFFFAOYSA-O. The full InChI is InChI=1S/C25H27FN2O2/c1-29-24-12-11-21(17-25(24)30-19-20-7-3-2-4-8-20)18-27-13-15-28(16-14-27)23-10-6-5-9-22(23)26/h2-12,17H,13-16,18-19H2,1H3/p+1.
What are the key properties of 1-(2-fluorophenyl)-4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazin-4-ium?
1-(2-fluorophenyl)-4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazin-4-ium has a molecular weight of 407.51 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazin-4-ium is sourced from PubChem (CID 7441126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).