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

C25H28N2O — CID 71602691

IUPAC1-(2-methoxyphenyl)-4-[[2-(2-methylphenyl)phenyl]methyl]piperazine
SMILESCOc1ccccc1N1CCN(Cc2ccccc2-c2ccccc2C)CC1
InChIInChI=1S/C25H28N2O/c1-20-9-3-5-11-22(20)23-12-6-4-10-21(23)19-26-15-17-27(18-16-26)24-13-7-8-14-25(24)28-2/h3-14H,15-19H2,1-2H3
InChIKeyGAIFFACGCZRTSQ-UHFFFAOYSA-N
MW372.51 g/mol
LogP4.99
Rot. Bonds5

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

1-(2-methoxyphenyl)-4-[[2-(2-methylphenyl)phenyl]methyl]piperazine (PubChem CID 71602691) has the molecular formula C25H28N2O and a molecular weight of 372.51 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-[[2-(2-methylphenyl)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-[[2-(2-methylphenyl)phenyl]methyl]piperazine
PubChem CID71602691
Molecular FormulaC25H28N2O
Molecular Weight372.51 g/mol
Exact Mass372.22
IUPAC Name1-(2-methoxyphenyl)-4-[[2-(2-methylphenyl)phenyl]methyl]piperazine
SMILESCOc1ccccc1N1CCN(Cc2ccccc2-c2ccccc2C)CC1
InChIInChI=1S/C25H28N2O/c1-20-9-3-5-11-22(20)23-12-6-4-10-21(23)19-26-15-17-27(18-16-26)24-13-7-8-14-25(24)28-2/h3-14H,15-19H2,1-2H3
InChIKeyGAIFFACGCZRTSQ-UHFFFAOYSA-N
XLogP4.99
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-[[2-(2-methylphenyl)phenyl]methyl]piperazine?
The IUPAC name of 1-(2-methoxyphenyl)-4-[[2-(2-methylphenyl)phenyl]methyl]piperazine (CID 71602691) is 1-(2-methoxyphenyl)-4-[[2-(2-methylphenyl)phenyl]methyl]piperazine.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-[[2-(2-methylphenyl)phenyl]methyl]piperazine?
The canonical SMILES for 1-(2-methoxyphenyl)-4-[[2-(2-methylphenyl)phenyl]methyl]piperazine is COc1ccccc1N1CCN(Cc2ccccc2-c2ccccc2C)CC1.
What is the InChIKey of 1-(2-methoxyphenyl)-4-[[2-(2-methylphenyl)phenyl]methyl]piperazine?
The InChIKey is GAIFFACGCZRTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O/c1-20-9-3-5-11-22(20)23-12-6-4-10-21(23)19-26-15-17-27(18-16-26)24-13-7-8-14-25(24)28-2/h3-14H,15-19H2,1-2H3.
What are the key properties of 1-(2-methoxyphenyl)-4-[[2-(2-methylphenyl)phenyl]methyl]piperazine?
1-(2-methoxyphenyl)-4-[[2-(2-methylphenyl)phenyl]methyl]piperazine has a molecular weight of 372.51 g/mol, XLogP of 4.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4-[[2-(2-methylphenyl)phenyl]methyl]piperazine is sourced from PubChem (CID 71602691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).