1-[(5-bromo-2-methoxyphenyl)methyl]-4-(2-methylphenyl)piperazine

C19H23BrN2O — CID 1376849

IUPAC1-[(5-bromo-2-methoxyphenyl)methyl]-4-(2-methylphenyl)piperazine
SMILESCOc1ccc(Br)cc1CN1CCN(c2ccccc2C)CC1
InChIInChI=1S/C19H23BrN2O/c1-15-5-3-4-6-18(15)22-11-9-21(10-12-22)14-16-13-17(20)7-8-19(16)23-2/h3-8,13H,9-12,14H2,1-2H3
InChIKeyBZOGVLQDVCUFEY-UHFFFAOYSA-N
MW375.31 g/mol
LogP4.09
Rot. Bonds4

About 1-[(5-bromo-2-methoxyphenyl)methyl]-4-(2-methylphenyl)piperazine

1-[(5-bromo-2-methoxyphenyl)methyl]-4-(2-methylphenyl)piperazine (PubChem CID 1376849) has the molecular formula C19H23BrN2O and a molecular weight of 375.31 g/mol. Its IUPAC name is 1-[(5-bromo-2-methoxyphenyl)methyl]-4-(2-methylphenyl)piperazine.

Molecular Properties

Compound Name1-[(5-bromo-2-methoxyphenyl)methyl]-4-(2-methylphenyl)piperazine
PubChem CID1376849
Molecular FormulaC19H23BrN2O
Molecular Weight375.31 g/mol
Exact Mass374.10
IUPAC Name1-[(5-bromo-2-methoxyphenyl)methyl]-4-(2-methylphenyl)piperazine
SMILESCOc1ccc(Br)cc1CN1CCN(c2ccccc2C)CC1
InChIInChI=1S/C19H23BrN2O/c1-15-5-3-4-6-18(15)22-11-9-21(10-12-22)14-16-13-17(20)7-8-19(16)23-2/h3-8,13H,9-12,14H2,1-2H3
InChIKeyBZOGVLQDVCUFEY-UHFFFAOYSA-N
XLogP4.09
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.31
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(5-bromo-2-methoxyphenyl)methyl]-4-(2-methylphenyl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-methoxyphenyl)methyl]-4-(2-methylphenyl)piperazine?
The IUPAC name of 1-[(5-bromo-2-methoxyphenyl)methyl]-4-(2-methylphenyl)piperazine (CID 1376849) is 1-[(5-bromo-2-methoxyphenyl)methyl]-4-(2-methylphenyl)piperazine.
What is the SMILES notation for 1-[(5-bromo-2-methoxyphenyl)methyl]-4-(2-methylphenyl)piperazine?
The canonical SMILES for 1-[(5-bromo-2-methoxyphenyl)methyl]-4-(2-methylphenyl)piperazine is COc1ccc(Br)cc1CN1CCN(c2ccccc2C)CC1.
What is the InChIKey of 1-[(5-bromo-2-methoxyphenyl)methyl]-4-(2-methylphenyl)piperazine?
The InChIKey is BZOGVLQDVCUFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O/c1-15-5-3-4-6-18(15)22-11-9-21(10-12-22)14-16-13-17(20)7-8-19(16)23-2/h3-8,13H,9-12,14H2,1-2H3.
What are the key properties of 1-[(5-bromo-2-methoxyphenyl)methyl]-4-(2-methylphenyl)piperazine?
1-[(5-bromo-2-methoxyphenyl)methyl]-4-(2-methylphenyl)piperazine has a molecular weight of 375.31 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2-methoxyphenyl)methyl]-4-(2-methylphenyl)piperazine is sourced from PubChem (CID 1376849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).