1-[(4-bromophenyl)-(2,3-dimethoxyphenyl)methyl]piperazine

C19H23BrN2O2 — CID 3834286

IUPAC1-[(4-bromophenyl)-(2,3-dimethoxyphenyl)methyl]piperazine
SMILESCOc1cccc(C(c2ccc(Br)cc2)N2CCNCC2)c1OC
InChIInChI=1S/C19H23BrN2O2/c1-23-17-5-3-4-16(19(17)24-2)18(22-12-10-21-11-13-22)14-6-8-15(20)9-7-14/h3-9,18,21H,10-13H2,1-2H3
InChIKeyHZDHUFSZBAGFPL-UHFFFAOYSA-N
MW391.31 g/mol
LogP3.46
Rot. Bonds5

About 1-[(4-bromophenyl)-(2,3-dimethoxyphenyl)methyl]piperazine

1-[(4-bromophenyl)-(2,3-dimethoxyphenyl)methyl]piperazine (PubChem CID 3834286) has the molecular formula C19H23BrN2O2 and a molecular weight of 391.31 g/mol. Its IUPAC name is 1-[(4-bromophenyl)-(2,3-dimethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(4-bromophenyl)-(2,3-dimethoxyphenyl)methyl]piperazine
PubChem CID3834286
Molecular FormulaC19H23BrN2O2
Molecular Weight391.31 g/mol
Exact Mass390.09
IUPAC Name1-[(4-bromophenyl)-(2,3-dimethoxyphenyl)methyl]piperazine
SMILESCOc1cccc(C(c2ccc(Br)cc2)N2CCNCC2)c1OC
InChIInChI=1S/C19H23BrN2O2/c1-23-17-5-3-4-16(19(17)24-2)18(22-12-10-21-11-13-22)14-6-8-15(20)9-7-14/h3-9,18,21H,10-13H2,1-2H3
InChIKeyHZDHUFSZBAGFPL-UHFFFAOYSA-N
XLogP3.46
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.31
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(4-bromophenyl)-(2,3-dimethoxyphenyl)methyl]piperazine with MolForge

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

Launch Full Analysis

Related Compounds

1-[(5-bromo-2-methoxyphenyl)-(2,3-dimethoxyphenyl)methyl]-1,4-diazepane
CID 5158278
1-[(2,3-dimethoxyphenyl)-thiophen-3-ylmethyl]piperazine
CID 3765219
1-[(2,3-dimethoxyphenyl)-(2,6-dimethoxyphenyl)methyl]-1,4-diazepane
CID 5159429
1-[(2,3-dimethoxyphenyl)-(3-ethoxyphenyl)methyl]piperazine
CID 3922190
1-[(4-methoxyphenyl)-(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 3914218
1-[(2,3-dimethoxyphenyl)-(3-ethoxy-4-methoxyphenyl)methyl]-1,4-diazepane
CID 3663774
1-[(4-chlorophenyl)-(2-methoxyphenyl)methyl]piperazine
CID 3779620
1-[(4-bromophenyl)-(2,5-dimethoxyphenyl)methyl]-1,4-diazepane
CID 4264818
1-[(2,4-difluorophenyl)-(2,3-dimethoxyphenyl)methyl]piperazine
CID 3831284
1-[(4-bromophenyl)-(3-methoxyphenyl)methyl]piperazine
CID 3836641
3-[(2,3-dimethoxyphenyl)-piperazin-1-ylmethyl]quinoline
CID 3831129
1-[bis(2-methoxyphenyl)methyl]piperazine
CID 5183937

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)-(2,3-dimethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[(4-bromophenyl)-(2,3-dimethoxyphenyl)methyl]piperazine (CID 3834286) is 1-[(4-bromophenyl)-(2,3-dimethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(4-bromophenyl)-(2,3-dimethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[(4-bromophenyl)-(2,3-dimethoxyphenyl)methyl]piperazine is COc1cccc(C(c2ccc(Br)cc2)N2CCNCC2)c1OC.
What is the InChIKey of 1-[(4-bromophenyl)-(2,3-dimethoxyphenyl)methyl]piperazine?
The InChIKey is HZDHUFSZBAGFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O2/c1-23-17-5-3-4-16(19(17)24-2)18(22-12-10-21-11-13-22)14-6-8-15(20)9-7-14/h3-9,18,21H,10-13H2,1-2H3.
What are the key properties of 1-[(4-bromophenyl)-(2,3-dimethoxyphenyl)methyl]piperazine?
1-[(4-bromophenyl)-(2,3-dimethoxyphenyl)methyl]piperazine has a molecular weight of 391.31 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)-(2,3-dimethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 3834286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).