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

C25H28N2O2 — CID 71678857

IUPAC1-(2-methoxyphenyl)-4-[[3-(2-methoxyphenyl)phenyl]methyl]piperazine
SMILESCOc1ccccc1-c1cccc(CN2CCN(c3ccccc3OC)CC2)c1
InChIInChI=1S/C25H28N2O2/c1-28-24-12-5-3-10-22(24)21-9-7-8-20(18-21)19-26-14-16-27(17-15-26)23-11-4-6-13-25(23)29-2/h3-13,18H,14-17,19H2,1-2H3
InChIKeyPNEHEWJNLWGRSQ-UHFFFAOYSA-N
MW388.51 g/mol
LogP4.69
Rot. Bonds6

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

1-(2-methoxyphenyl)-4-[[3-(2-methoxyphenyl)phenyl]methyl]piperazine (PubChem CID 71678857) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-[[3-(2-methoxyphenyl)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-[[3-(2-methoxyphenyl)phenyl]methyl]piperazine
PubChem CID71678857
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC Name1-(2-methoxyphenyl)-4-[[3-(2-methoxyphenyl)phenyl]methyl]piperazine
SMILESCOc1ccccc1-c1cccc(CN2CCN(c3ccccc3OC)CC2)c1
InChIInChI=1S/C25H28N2O2/c1-28-24-12-5-3-10-22(24)21-9-7-8-20(18-21)19-26-14-16-27(17-15-26)23-11-4-6-13-25(23)29-2/h3-13,18H,14-17,19H2,1-2H3
InChIKeyPNEHEWJNLWGRSQ-UHFFFAOYSA-N
XLogP4.69
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-[[3-(2-methoxyphenyl)phenyl]methyl]piperazine?
The IUPAC name of 1-(2-methoxyphenyl)-4-[[3-(2-methoxyphenyl)phenyl]methyl]piperazine (CID 71678857) is 1-(2-methoxyphenyl)-4-[[3-(2-methoxyphenyl)phenyl]methyl]piperazine.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-[[3-(2-methoxyphenyl)phenyl]methyl]piperazine?
The canonical SMILES for 1-(2-methoxyphenyl)-4-[[3-(2-methoxyphenyl)phenyl]methyl]piperazine is COc1ccccc1-c1cccc(CN2CCN(c3ccccc3OC)CC2)c1.
What is the InChIKey of 1-(2-methoxyphenyl)-4-[[3-(2-methoxyphenyl)phenyl]methyl]piperazine?
The InChIKey is PNEHEWJNLWGRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O2/c1-28-24-12-5-3-10-22(24)21-9-7-8-20(18-21)19-26-14-16-27(17-15-26)23-11-4-6-13-25(23)29-2/h3-13,18H,14-17,19H2,1-2H3.
What are the key properties of 1-(2-methoxyphenyl)-4-[[3-(2-methoxyphenyl)phenyl]methyl]piperazine?
1-(2-methoxyphenyl)-4-[[3-(2-methoxyphenyl)phenyl]methyl]piperazine has a molecular weight of 388.51 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4-[[3-(2-methoxyphenyl)phenyl]methyl]piperazine is sourced from PubChem (CID 71678857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).