1-(2-methoxyphenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine

C21H28N2O4 — CID 1377123

IUPAC1-(2-methoxyphenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
SMILESCOc1ccccc1N1CCN(Cc2ccc(OC)c(OC)c2OC)CC1
InChIInChI=1S/C21H28N2O4/c1-24-18-8-6-5-7-17(18)23-13-11-22(12-14-23)15-16-9-10-19(25-2)21(27-4)20(16)26-3/h5-10H,11-15H2,1-4H3
InChIKeyNEKJZJSWJMAZRZ-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.04
Rot. Bonds7

About 1-(2-methoxyphenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine

1-(2-methoxyphenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine (PubChem CID 1377123) has the molecular formula C21H28N2O4 and a molecular weight of 372.47 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
PubChem CID1377123
Molecular FormulaC21H28N2O4
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name1-(2-methoxyphenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
SMILESCOc1ccccc1N1CCN(Cc2ccc(OC)c(OC)c2OC)CC1
InChIInChI=1S/C21H28N2O4/c1-24-18-8-6-5-7-17(18)23-13-11-22(12-14-23)15-16-9-10-19(25-2)21(27-4)20(16)26-3/h5-10H,11-15H2,1-4H3
InChIKeyNEKJZJSWJMAZRZ-UHFFFAOYSA-N
XLogP3.04
TPSA43.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(2-methoxyphenyl)-4-[(2,3,4-trimethoxyphenyl)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

Ensaculin hydrochloride
CID 6918282
Piperazine, 1-(3,4-dimethoxyphenethyl)-4-(o-ethoxyphenyl)-
CID 121102
7-Methoxy-6-(3-(4-(2-methoxyphenyl)-1-piperazinyl)propoxy)-3,4-dimethyl-2H-1-benzopyran-2-one
CID 208923
(4-(2-Methoxyphenyl)-1-piperazinyl)(3,4,5-trimethoxyphenyl)methanone
CID 28757
2,6-Dimethoxy-4-(((4-(2-methoxyphenyl)-1-piperazinyl)imino)methyl)phenol
CID 135498032
4-Methoxy-N-(3,4,5-trimethoxybenzyl)aniline
CID 364716
1-[2-(1,3-Benzodioxol-5-yl)ethyl]-4-(2-methoxyphenyl)piperazine;hydrochloride
CID 53329787
1-(3,5-Dimethoxy-benzyl)-4-(2,3-dimethoxy-benzyl)-piperazine
CID 1222695
6-[[4-(2-Methoxyphenyl)piperazin-1-yl]methyl]-1,3-benzodioxol-5-ol
CID 2465409
1,3-Diphenyl-2-(3,4,5-trimethoxyphenyl)imidazolidine
CID 292557
[4-(2-Methoxy-phenyl)-piperazin-1-yl]-(2,4,6-trimethoxy-benzylidene)-amine
CID 6886949
1-(3-Chlorophenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
CID 1377242

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-(2-methoxyphenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine (CID 1377123) is 1-(2-methoxyphenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-(2-methoxyphenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine is COc1ccccc1N1CCN(Cc2ccc(OC)c(OC)c2OC)CC1.
What is the InChIKey of 1-(2-methoxyphenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine?
The InChIKey is NEKJZJSWJMAZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4/c1-24-18-8-6-5-7-17(18)23-13-11-22(12-14-23)15-16-9-10-19(25-2)21(27-4)20(16)26-3/h5-10H,11-15H2,1-4H3.
What are the key properties of 1-(2-methoxyphenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine?
1-(2-methoxyphenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine has a molecular weight of 372.47 g/mol, XLogP of 3.04, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 1377123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).