1-[[4-methoxy-3-(2-methoxyphenyl)phenyl]methyl]-4-(2-methoxyphenyl)piperazine

C26H30N2O3 — CID 134154531

IUPAC1-[[4-methoxy-3-(2-methoxyphenyl)phenyl]methyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1-c1cc(CN2CCN(c3ccccc3OC)CC2)ccc1OC
InChIInChI=1S/C26H30N2O3/c1-29-24-10-6-4-8-21(24)22-18-20(12-13-25(22)30-2)19-27-14-16-28(17-15-27)23-9-5-7-11-26(23)31-3/h4-13,18H,14-17,19H2,1-3H3
InChIKeySPEIBYSKWURQJA-UHFFFAOYSA-N
MW418.54 g/mol
LogP4.70
Rot. Bonds7

About 1-[[4-methoxy-3-(2-methoxyphenyl)phenyl]methyl]-4-(2-methoxyphenyl)piperazine

1-[[4-methoxy-3-(2-methoxyphenyl)phenyl]methyl]-4-(2-methoxyphenyl)piperazine (PubChem CID 134154531) has the molecular formula C26H30N2O3 and a molecular weight of 418.54 g/mol. Its IUPAC name is 1-[[4-methoxy-3-(2-methoxyphenyl)phenyl]methyl]-4-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[[4-methoxy-3-(2-methoxyphenyl)phenyl]methyl]-4-(2-methoxyphenyl)piperazine
PubChem CID134154531
Molecular FormulaC26H30N2O3
Molecular Weight418.54 g/mol
Exact Mass418.23
IUPAC Name1-[[4-methoxy-3-(2-methoxyphenyl)phenyl]methyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1-c1cc(CN2CCN(c3ccccc3OC)CC2)ccc1OC
InChIInChI=1S/C26H30N2O3/c1-29-24-10-6-4-8-21(24)22-18-20(12-13-25(22)30-2)19-27-14-16-28(17-15-27)23-9-5-7-11-26(23)31-3/h4-13,18H,14-17,19H2,1-3H3
InChIKeySPEIBYSKWURQJA-UHFFFAOYSA-N
XLogP4.70
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-methoxy-3-(2-methoxyphenyl)phenyl]methyl]-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-[[4-methoxy-3-(2-methoxyphenyl)phenyl]methyl]-4-(2-methoxyphenyl)piperazine (CID 134154531) is 1-[[4-methoxy-3-(2-methoxyphenyl)phenyl]methyl]-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[[4-methoxy-3-(2-methoxyphenyl)phenyl]methyl]-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-[[4-methoxy-3-(2-methoxyphenyl)phenyl]methyl]-4-(2-methoxyphenyl)piperazine is COc1ccccc1-c1cc(CN2CCN(c3ccccc3OC)CC2)ccc1OC.
What is the InChIKey of 1-[[4-methoxy-3-(2-methoxyphenyl)phenyl]methyl]-4-(2-methoxyphenyl)piperazine?
The InChIKey is SPEIBYSKWURQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O3/c1-29-24-10-6-4-8-21(24)22-18-20(12-13-25(22)30-2)19-27-14-16-28(17-15-27)23-9-5-7-11-26(23)31-3/h4-13,18H,14-17,19H2,1-3H3.
What are the key properties of 1-[[4-methoxy-3-(2-methoxyphenyl)phenyl]methyl]-4-(2-methoxyphenyl)piperazine?
1-[[4-methoxy-3-(2-methoxyphenyl)phenyl]methyl]-4-(2-methoxyphenyl)piperazine has a molecular weight of 418.54 g/mol, XLogP of 4.70, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-methoxy-3-(2-methoxyphenyl)phenyl]methyl]-4-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 134154531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).