1-(2-methoxyphenyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine

C21H28N2O4 — CID 1376842

IUPAC1-(2-methoxyphenyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine
SMILESCOc1cc(OC)c(OC)cc1CN1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C21H28N2O4/c1-24-18-8-6-5-7-17(18)23-11-9-22(10-12-23)15-16-13-20(26-3)21(27-4)14-19(16)25-2/h5-8,13-14H,9-12,15H2,1-4H3
InChIKeyVOFIXJGVBQCMRY-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.04
Rot. Bonds7

About 1-(2-methoxyphenyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine

1-(2-methoxyphenyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine (PubChem CID 1376842) has the molecular formula C21H28N2O4 and a molecular weight of 372.47 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine
PubChem CID1376842
Molecular FormulaC21H28N2O4
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name1-(2-methoxyphenyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine
SMILESCOc1cc(OC)c(OC)cc1CN1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C21H28N2O4/c1-24-18-8-6-5-7-17(18)23-11-9-22(10-12-23)15-16-13-20(26-3)21(27-4)14-19(16)25-2/h5-8,13-14H,9-12,15H2,1-4H3
InChIKeyVOFIXJGVBQCMRY-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

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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
6-[[4-(2-Methoxyphenyl)piperazin-1-yl]methyl]-1,3-benzodioxol-5-ol
CID 2465409
6-[[4-(4-Fluorophenyl)piperazin-1-yl]methyl]-1,3-benzodioxol-5-ol
CID 2466853
1-(2-Methoxyphenyl)-4-(2,3,4-trimethoxybenzyl)piperazine
CID 1377123
1-(3-Chlorophenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
CID 1377242
1-(2-Methoxyphenyl)-4-[[7-(2-methoxyphenyl)-1,3-benzodioxol-5-yl]methyl]piperazine
CID 134141985
Piperazine, 1-(2-methylphenyl)-4-((3,4,5-trimethoxyphenyl)methyl)-
CID 1377353
1,3-dimethyl-2-(2,4,5-trimethoxyphenyl)-2H-benzimidazole
CID 755172
1-[(2,3-Dimethoxyphenyl)methyl]-4-(2-methoxyphenyl)piperazine
CID 792522

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-(2-methoxyphenyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine (CID 1376842) is 1-(2-methoxyphenyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-(2-methoxyphenyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine is COc1cc(OC)c(OC)cc1CN1CCN(c2ccccc2OC)CC1.
What is the InChIKey of 1-(2-methoxyphenyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine?
The InChIKey is VOFIXJGVBQCMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4/c1-24-18-8-6-5-7-17(18)23-11-9-22(10-12-23)15-16-13-20(26-3)21(27-4)14-19(16)25-2/h5-8,13-14H,9-12,15H2,1-4H3.
What are the key properties of 1-(2-methoxyphenyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine?
1-(2-methoxyphenyl)-4-[(2,4,5-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-[(2,4,5-trimethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 1376842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).