1-[(2-bromo-5-methoxyphenyl)methyl]-2-methylpiperazine

C13H19BrN2O — CID 65323068

IUPAC1-[(2-bromo-5-methoxyphenyl)methyl]-2-methylpiperazine
SMILESCOc1ccc(Br)c(CN2CCNCC2C)c1
InChIInChI=1S/C13H19BrN2O/c1-10-8-15-5-6-16(10)9-11-7-12(17-2)3-4-13(11)14/h3-4,7,10,15H,5-6,8-9H2,1-2H3
InChIKeyIZRLRTPGYYGVFN-UHFFFAOYSA-N
MW299.21 g/mol
LogP2.25
Rot. Bonds3

About 1-[(2-bromo-5-methoxyphenyl)methyl]-2-methylpiperazine

1-[(2-bromo-5-methoxyphenyl)methyl]-2-methylpiperazine (PubChem CID 65323068) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 1-[(2-bromo-5-methoxyphenyl)methyl]-2-methylpiperazine.

Molecular Properties

Compound Name1-[(2-bromo-5-methoxyphenyl)methyl]-2-methylpiperazine
PubChem CID65323068
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name1-[(2-bromo-5-methoxyphenyl)methyl]-2-methylpiperazine
SMILESCOc1ccc(Br)c(CN2CCNCC2C)c1
InChIInChI=1S/C13H19BrN2O/c1-10-8-15-5-6-16(10)9-11-7-12(17-2)3-4-13(11)14/h3-4,7,10,15H,5-6,8-9H2,1-2H3
InChIKeyIZRLRTPGYYGVFN-UHFFFAOYSA-N
XLogP2.25
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(2-bromo-5-methoxyphenyl)methyl]-2-methylpiperazine 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-[(2-bromo-5-methoxyphenyl)methyl]-5-ethyl-2-methylpiperazine
CID 65331441
(2R)-1-[(2-methoxyphenyl)methyl]-2-methylpiperazine
CID 82755826
1-[1-[(2-bromo-5-methoxyphenyl)methyl]azetidin-3-yl]piperazine
CID 66196775
1-[(2-bromo-6-methoxyphenyl)methyl]-2-methylpiperazine
CID 171934485
(3R)-1-[(2-bromo-5-methoxyphenyl)methyl]-3-methylpiperazine
CID 113345867
1-[(5-bromo-2-methylphenyl)methyl]-2-methylpiperazine
CID 83558611
(4aR,8aR)-1-[(2-bromo-5-methoxyphenyl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 102727810
[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol
CID 65326810
1-(2-bromo-5-methoxyphenyl)sulfonyl-2-methylpiperazine
CID 119969907
1-[4-methoxy-3-[(2-methylpiperazin-1-yl)methyl]phenyl]ethanone
CID 62673685
5-[(2-bromo-5-methoxyphenyl)methyl]-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66209340
4-[(2-bromo-5-methoxyphenyl)methyl]-2-methyl-1,4-oxazepane
CID 65326119

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-5-methoxyphenyl)methyl]-2-methylpiperazine?
The IUPAC name of 1-[(2-bromo-5-methoxyphenyl)methyl]-2-methylpiperazine (CID 65323068) is 1-[(2-bromo-5-methoxyphenyl)methyl]-2-methylpiperazine.
What is the SMILES notation for 1-[(2-bromo-5-methoxyphenyl)methyl]-2-methylpiperazine?
The canonical SMILES for 1-[(2-bromo-5-methoxyphenyl)methyl]-2-methylpiperazine is COc1ccc(Br)c(CN2CCNCC2C)c1.
What is the InChIKey of 1-[(2-bromo-5-methoxyphenyl)methyl]-2-methylpiperazine?
The InChIKey is IZRLRTPGYYGVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-10-8-15-5-6-16(10)9-11-7-12(17-2)3-4-13(11)14/h3-4,7,10,15H,5-6,8-9H2,1-2H3.
What are the key properties of 1-[(2-bromo-5-methoxyphenyl)methyl]-2-methylpiperazine?
1-[(2-bromo-5-methoxyphenyl)methyl]-2-methylpiperazine has a molecular weight of 299.21 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromo-5-methoxyphenyl)methyl]-2-methylpiperazine is sourced from PubChem (CID 65323068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).