1-(2-methoxyphenyl)-4-[[7-(2-methoxyphenyl)-1,3-benzodioxol-5-yl]methyl]piperazine

C26H28N2O4 — CID 134141985

IUPAC1-(2-methoxyphenyl)-4-[[7-(2-methoxyphenyl)-1,3-benzodioxol-5-yl]methyl]piperazine
SMILESCOc1ccccc1-c1cc(CN2CCN(c3ccccc3OC)CC2)cc2c1OCO2
InChIInChI=1S/C26H28N2O4/c1-29-23-9-5-3-7-20(23)21-15-19(16-25-26(21)32-18-31-25)17-27-11-13-28(14-12-27)22-8-4-6-10-24(22)30-2/h3-10,15-16H,11-14,17-18H2,1-2H3
InChIKeyGWZQOWNCFVYXHK-UHFFFAOYSA-N
MW432.52 g/mol
LogP4.42
Rot. Bonds6

About 1-(2-methoxyphenyl)-4-[[7-(2-methoxyphenyl)-1,3-benzodioxol-5-yl]methyl]piperazine

1-(2-methoxyphenyl)-4-[[7-(2-methoxyphenyl)-1,3-benzodioxol-5-yl]methyl]piperazine (PubChem CID 134141985) has the molecular formula C26H28N2O4 and a molecular weight of 432.52 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-[[7-(2-methoxyphenyl)-1,3-benzodioxol-5-yl]methyl]piperazine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-[[7-(2-methoxyphenyl)-1,3-benzodioxol-5-yl]methyl]piperazine
PubChem CID134141985
Molecular FormulaC26H28N2O4
Molecular Weight432.52 g/mol
Exact Mass432.20
IUPAC Name1-(2-methoxyphenyl)-4-[[7-(2-methoxyphenyl)-1,3-benzodioxol-5-yl]methyl]piperazine
SMILESCOc1ccccc1-c1cc(CN2CCN(c3ccccc3OC)CC2)cc2c1OCO2
InChIInChI=1S/C26H28N2O4/c1-29-23-9-5-3-7-20(23)21-15-19(16-25-26(21)32-18-31-25)17-27-11-13-28(14-12-27)22-8-4-6-10-24(22)30-2/h3-10,15-16H,11-14,17-18H2,1-2H3
InChIKeyGWZQOWNCFVYXHK-UHFFFAOYSA-N
XLogP4.42
TPSA43.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(1,3-Benzodioxol-5-yl)ethyl]-4-(2-methoxyphenyl)piperazine;hydrochloride
CID 53329787
Dehydrocrebanine
CID 149600
1-[2-(1,3-Benzodioxol-5-yl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine
CID 134149596
1-(1,3-Benzodioxol-5-ylmethyl)-4-(2-methylphenyl)piperazine
CID 791168
6-[[4-(2-Methoxyphenyl)piperazin-1-yl]methyl]-1,3-benzodioxol-5-ol
CID 2465409
1-(2-Methoxyphenyl)-4-(2,3,4-trimethoxybenzyl)piperazine
CID 1377123
1-[2-(1,3-Benzodioxol-5-yl)ethyl]-4-(2-methoxyphenyl)piperazine
CID 11638677
3-(3-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)-8-(3-(trifluoromethoxy)phenyl)-2H-benzo[b][1,4]oxazin-4(3H)-yl)-1,1,1-trifluoropropan-2-ol
CID 24767841
1-[[4-Methoxy-3-(2-methoxyphenyl)phenyl]methyl]-4-(2-methoxyphenyl)piperazine
CID 134154531
1-((2H-1,3-Benzodioxol-5-yl)methyl)-4-phenylpiperazine
CID 765879
1-(2-Methoxyphenyl)-4-(2,4,5-trimethoxybenzyl)piperazine
CID 1376842
1-[(7-Methoxy-1,3-benzodioxol-5-yl)methyl]-4-(2-methoxyphenyl)piperazine
CID 1379190

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-[[7-(2-methoxyphenyl)-1,3-benzodioxol-5-yl]methyl]piperazine?
The IUPAC name of 1-(2-methoxyphenyl)-4-[[7-(2-methoxyphenyl)-1,3-benzodioxol-5-yl]methyl]piperazine (CID 134141985) is 1-(2-methoxyphenyl)-4-[[7-(2-methoxyphenyl)-1,3-benzodioxol-5-yl]methyl]piperazine.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-[[7-(2-methoxyphenyl)-1,3-benzodioxol-5-yl]methyl]piperazine?
The canonical SMILES for 1-(2-methoxyphenyl)-4-[[7-(2-methoxyphenyl)-1,3-benzodioxol-5-yl]methyl]piperazine is COc1ccccc1-c1cc(CN2CCN(c3ccccc3OC)CC2)cc2c1OCO2.
What is the InChIKey of 1-(2-methoxyphenyl)-4-[[7-(2-methoxyphenyl)-1,3-benzodioxol-5-yl]methyl]piperazine?
The InChIKey is GWZQOWNCFVYXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O4/c1-29-23-9-5-3-7-20(23)21-15-19(16-25-26(21)32-18-31-25)17-27-11-13-28(14-12-27)22-8-4-6-10-24(22)30-2/h3-10,15-16H,11-14,17-18H2,1-2H3.
What are the key properties of 1-(2-methoxyphenyl)-4-[[7-(2-methoxyphenyl)-1,3-benzodioxol-5-yl]methyl]piperazine?
1-(2-methoxyphenyl)-4-[[7-(2-methoxyphenyl)-1,3-benzodioxol-5-yl]methyl]piperazine has a molecular weight of 432.52 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4-[[7-(2-methoxyphenyl)-1,3-benzodioxol-5-yl]methyl]piperazine is sourced from PubChem (CID 134141985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).