1-ethyl-4-[2-(3-phenoxyphenoxy)ethyl]piperazine-1,4-diium

C20H28N2O2+2 — CID 7484402

IUPAC1-ethyl-4-[2-(3-phenoxyphenoxy)ethyl]piperazine-1,4-diium
SMILESCC[NH+]1CC[NH+](CCOc2cccc(Oc3ccccc3)c2)CC1
InChIInChI=1S/C20H26N2O2/c1-2-21-11-13-22(14-12-21)15-16-23-19-9-6-10-20(17-19)24-18-7-4-3-5-8-18/h3-10,17H,2,11-16H2,1H3/p+2
InChIKeyZMWKFSKLWQPAOQ-UHFFFAOYSA-P
MW328.46 g/mol
LogP0.66
Rot. Bonds7

About 1-ethyl-4-[2-(3-phenoxyphenoxy)ethyl]piperazine-1,4-diium

1-ethyl-4-[2-(3-phenoxyphenoxy)ethyl]piperazine-1,4-diium (PubChem CID 7484402) has the molecular formula C20H28N2O2+2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 1-ethyl-4-[2-(3-phenoxyphenoxy)ethyl]piperazine-1,4-diium.

Molecular Properties

Compound Name1-ethyl-4-[2-(3-phenoxyphenoxy)ethyl]piperazine-1,4-diium
PubChem CID7484402
Molecular FormulaC20H28N2O2+2
Molecular Weight328.46 g/mol
Exact Mass328.21
IUPAC Name1-ethyl-4-[2-(3-phenoxyphenoxy)ethyl]piperazine-1,4-diium
SMILESCC[NH+]1CC[NH+](CCOc2cccc(Oc3ccccc3)c2)CC1
InChIInChI=1S/C20H26N2O2/c1-2-21-11-13-22(14-12-21)15-16-23-19-9-6-10-20(17-19)24-18-7-4-3-5-8-18/h3-10,17H,2,11-16H2,1H3/p+2
InChIKeyZMWKFSKLWQPAOQ-UHFFFAOYSA-P
XLogP0.66
TPSA27.34 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-ethyl-4-[2-(3-phenoxyphenoxy)ethyl]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-ethyl-4-[(3-phenoxyphenyl)methyl]piperazine-1,4-diium
CID 7439200
1-ethyl-4-[2-(4-phenylmethoxyphenoxy)ethyl]piperazine-1,4-diium
CID 7484376
1-ethyl-4-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl]piperazine-1,4-diium
CID 7479474
1-ethyl-4-[2-(4-iodophenoxy)ethyl]piperazine-1,4-diium
CID 7479388
1-ethyl-4-[3-(4-phenylphenoxy)propyl]piperazine-1,4-diium
CID 7126678
1-(2-bromoethoxy)-3-phenoxybenzene
CID 86227563
1-[2-(3-methoxyphenoxy)ethyl]piperazine-1,4-diium
CID 6939219
methyl-[2-(3-phenoxyphenoxy)ethyl]azanium
CID 2199745
diethyl-[4-(3-phenoxyphenoxy)butyl]azanium
CID 2232638
1-[4-(4-benzylphenoxy)butyl]-4-ethylpiperazine-1,4-diium
CID 7479408
1-benzhydryl-4-(2-phenoxyethyl)piperazine-1,4-diium
CID 7381343
N-[2-(3-phenoxyphenoxy)ethyl]butan-2-amine
CID 63516697

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[2-(3-phenoxyphenoxy)ethyl]piperazine-1,4-diium?
The IUPAC name of 1-ethyl-4-[2-(3-phenoxyphenoxy)ethyl]piperazine-1,4-diium (CID 7484402) is 1-ethyl-4-[2-(3-phenoxyphenoxy)ethyl]piperazine-1,4-diium.
What is the SMILES notation for 1-ethyl-4-[2-(3-phenoxyphenoxy)ethyl]piperazine-1,4-diium?
The canonical SMILES for 1-ethyl-4-[2-(3-phenoxyphenoxy)ethyl]piperazine-1,4-diium is CC[NH+]1CC[NH+](CCOc2cccc(Oc3ccccc3)c2)CC1.
What is the InChIKey of 1-ethyl-4-[2-(3-phenoxyphenoxy)ethyl]piperazine-1,4-diium?
The InChIKey is ZMWKFSKLWQPAOQ-UHFFFAOYSA-P. The full InChI is InChI=1S/C20H26N2O2/c1-2-21-11-13-22(14-12-21)15-16-23-19-9-6-10-20(17-19)24-18-7-4-3-5-8-18/h3-10,17H,2,11-16H2,1H3/p+2.
What are the key properties of 1-ethyl-4-[2-(3-phenoxyphenoxy)ethyl]piperazine-1,4-diium?
1-ethyl-4-[2-(3-phenoxyphenoxy)ethyl]piperazine-1,4-diium has a molecular weight of 328.46 g/mol, XLogP of 0.66, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[2-(3-phenoxyphenoxy)ethyl]piperazine-1,4-diium is sourced from PubChem (CID 7484402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).