1-[2-(2-benzylphenoxy)ethyl]-4-[(2,6-dimethoxyphenyl)methyl]piperazine

C28H34N2O3 — CID 139743298

IUPAC1-[2-(2-benzylphenoxy)ethyl]-4-[(2,6-dimethoxyphenyl)methyl]piperazine
SMILESCOc1cccc(OC)c1CN1CCN(CCOc2ccccc2Cc2ccccc2)CC1
InChIInChI=1S/C28H34N2O3/c1-31-27-13-8-14-28(32-2)25(27)22-30-17-15-29(16-18-30)19-20-33-26-12-7-6-11-24(26)21-23-9-4-3-5-10-23/h3-14H,15-22H2,1-2H3
InChIKeyMPUYTLIWMZZNOA-UHFFFAOYSA-N
MW446.59 g/mol
LogP4.49
Rot. Bonds10

About 1-[2-(2-benzylphenoxy)ethyl]-4-[(2,6-dimethoxyphenyl)methyl]piperazine

1-[2-(2-benzylphenoxy)ethyl]-4-[(2,6-dimethoxyphenyl)methyl]piperazine (PubChem CID 139743298) has the molecular formula C28H34N2O3 and a molecular weight of 446.59 g/mol. Its IUPAC name is 1-[2-(2-benzylphenoxy)ethyl]-4-[(2,6-dimethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[2-(2-benzylphenoxy)ethyl]-4-[(2,6-dimethoxyphenyl)methyl]piperazine
PubChem CID139743298
Molecular FormulaC28H34N2O3
Molecular Weight446.59 g/mol
Exact Mass446.26
IUPAC Name1-[2-(2-benzylphenoxy)ethyl]-4-[(2,6-dimethoxyphenyl)methyl]piperazine
SMILESCOc1cccc(OC)c1CN1CCN(CCOc2ccccc2Cc2ccccc2)CC1
InChIInChI=1S/C28H34N2O3/c1-31-27-13-8-14-28(32-2)25(27)22-30-17-15-29(16-18-30)19-20-33-26-12-7-6-11-24(26)21-23-9-4-3-5-10-23/h3-14H,15-22H2,1-2H3
InChIKeyMPUYTLIWMZZNOA-UHFFFAOYSA-N
XLogP4.49
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.59
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[2-(2-benzylphenoxy)ethyl]-4-[(2,6-dimethoxyphenyl)methyl]piperazine 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-[2-(2-benzylphenoxy)ethyl]-4-ethylpiperazine
CID 2960969
1-[3-(2-benzylphenoxy)propyl]-4-[(3-methoxyphenyl)methyl]piperazine
CID 139743333
1-[3-(2-benzylphenoxy)propyl]-4-ethylpiperazine;oxalic acid
CID 2961060
4-[[3,5-dimethoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3-(2-pyrrolidin-1-ylethoxy)phenol
CID 173255910
2-[2-(4-benzylpiperazin-1-yl)ethoxy]benzoic acid
CID 23009919
1-[2-(4-benzyl-2-methoxyphenoxy)ethyl]pyrrolidine
CID 10638790
1-benzyl-4-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]piperazine
CID 2232243
1-benzyl-4-[2-(2,6-dimethylphenoxy)ethyl]piperazine
CID 11278783
1-(2-methoxyphenyl)-4-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]piperazine
CID 25156130
4-[2-(4-benzylpiperazin-1-yl)ethoxy]-3,5-dimethoxybenzaldehyde
CID 87531019
1-[2-(2-methoxyphenoxy)ethyl]piperidine
CID 867242
1-benzyl-4-[(2-methoxyphenyl)methyl]-1,4-diazepane
CID 112808306

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-benzylphenoxy)ethyl]-4-[(2,6-dimethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[2-(2-benzylphenoxy)ethyl]-4-[(2,6-dimethoxyphenyl)methyl]piperazine (CID 139743298) is 1-[2-(2-benzylphenoxy)ethyl]-4-[(2,6-dimethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[2-(2-benzylphenoxy)ethyl]-4-[(2,6-dimethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[2-(2-benzylphenoxy)ethyl]-4-[(2,6-dimethoxyphenyl)methyl]piperazine is COc1cccc(OC)c1CN1CCN(CCOc2ccccc2Cc2ccccc2)CC1.
What is the InChIKey of 1-[2-(2-benzylphenoxy)ethyl]-4-[(2,6-dimethoxyphenyl)methyl]piperazine?
The InChIKey is MPUYTLIWMZZNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O3/c1-31-27-13-8-14-28(32-2)25(27)22-30-17-15-29(16-18-30)19-20-33-26-12-7-6-11-24(26)21-23-9-4-3-5-10-23/h3-14H,15-22H2,1-2H3.
What are the key properties of 1-[2-(2-benzylphenoxy)ethyl]-4-[(2,6-dimethoxyphenyl)methyl]piperazine?
1-[2-(2-benzylphenoxy)ethyl]-4-[(2,6-dimethoxyphenyl)methyl]piperazine has a molecular weight of 446.59 g/mol, XLogP of 4.49, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-benzylphenoxy)ethyl]-4-[(2,6-dimethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 139743298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).