1-[2-(2-benzylphenoxy)ethyl]-4-ethylpiperazine

C21H28N2O — CID 2960969

IUPAC1-[2-(2-benzylphenoxy)ethyl]-4-ethylpiperazine
SMILESCCN1CCN(CCOc2ccccc2Cc2ccccc2)CC1
InChIInChI=1S/C21H28N2O/c1-2-22-12-14-23(15-13-22)16-17-24-21-11-7-6-10-20(21)18-19-8-4-3-5-9-19/h3-11H,2,12-18H2,1H3
InChIKeyAFBQNDLORVGNMV-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.29
Rot. Bonds7

About 1-[2-(2-benzylphenoxy)ethyl]-4-ethylpiperazine

1-[2-(2-benzylphenoxy)ethyl]-4-ethylpiperazine (PubChem CID 2960969) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is 1-[2-(2-benzylphenoxy)ethyl]-4-ethylpiperazine.

Molecular Properties

Compound Name1-[2-(2-benzylphenoxy)ethyl]-4-ethylpiperazine
PubChem CID2960969
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name1-[2-(2-benzylphenoxy)ethyl]-4-ethylpiperazine
SMILESCCN1CCN(CCOc2ccccc2Cc2ccccc2)CC1
InChIInChI=1S/C21H28N2O/c1-2-22-12-14-23(15-13-22)16-17-24-21-11-7-6-10-20(21)18-19-8-4-3-5-9-19/h3-11H,2,12-18H2,1H3
InChIKeyAFBQNDLORVGNMV-UHFFFAOYSA-N
XLogP3.29
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-(2-benzylphenoxy)ethyl]-4-ethylpiperazine 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-[3-(2-benzylphenoxy)propyl]-4-ethylpiperazine;oxalic acid
CID 2961060
1-[2-(2-benzylphenoxy)ethyl]-4-[(2,6-dimethoxyphenyl)methyl]piperazine
CID 139743298
1-[[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]-4-methyl-1,4-diazepane
CID 91792612
1-ethyl-4-[3-(2-phenylmethoxyphenoxy)propyl]piperazine
CID 2961785
(3S)-1-[[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]pyrrolidin-3-amine
CID 99941836
1-[3-(2-benzylphenoxy)propyl]-4-[(3-methoxyphenyl)methyl]piperazine
CID 139743333
1-[2-(2-propylphenoxy)ethyl]pyrrolidine
CID 173254301
1-[2-(2-butylphenoxy)ethyl]piperidine
CID 5129730
N-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]ethanamine
CID 62438685
2-(2-benzylphenoxy)-N-methylethanamine
CID 12660328
(3R)-4-[[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]-3-methylpiperazin-2-one
CID 99930715
2-(2-benzylphenoxy)ethyl-[2-[2-(2-benzylphenoxy)ethyl-diethylazaniumyl]ethyl]-diethylazanium
CID 4117707

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-benzylphenoxy)ethyl]-4-ethylpiperazine?
The IUPAC name of 1-[2-(2-benzylphenoxy)ethyl]-4-ethylpiperazine (CID 2960969) is 1-[2-(2-benzylphenoxy)ethyl]-4-ethylpiperazine.
What is the SMILES notation for 1-[2-(2-benzylphenoxy)ethyl]-4-ethylpiperazine?
The canonical SMILES for 1-[2-(2-benzylphenoxy)ethyl]-4-ethylpiperazine is CCN1CCN(CCOc2ccccc2Cc2ccccc2)CC1.
What is the InChIKey of 1-[2-(2-benzylphenoxy)ethyl]-4-ethylpiperazine?
The InChIKey is AFBQNDLORVGNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c1-2-22-12-14-23(15-13-22)16-17-24-21-11-7-6-10-20(21)18-19-8-4-3-5-9-19/h3-11H,2,12-18H2,1H3.
What are the key properties of 1-[2-(2-benzylphenoxy)ethyl]-4-ethylpiperazine?
1-[2-(2-benzylphenoxy)ethyl]-4-ethylpiperazine has a molecular weight of 324.47 g/mol, XLogP of 3.29, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-benzylphenoxy)ethyl]-4-ethylpiperazine is sourced from PubChem (CID 2960969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).