1-(5-bromo-3-pyridinyl)-4-(2-methoxyphenyl)piperazine

C16H18BrN3O — CID 115620485

IUPAC1-(5-bromo-3-pyridinyl)-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(c2cncc(Br)c2)CC1
InChIInChI=1S/C16H18BrN3O/c1-21-16-5-3-2-4-15(16)20-8-6-19(7-9-20)14-10-13(17)11-18-12-14/h2-5,10-12H,6-9H2,1H3
InChIKeyAAKFOGMTWFZJOP-UHFFFAOYSA-N
MW348.24 g/mol
LogP3.18
Rot. Bonds3

About 1-(5-bromo-3-pyridinyl)-4-(2-methoxyphenyl)piperazine

1-(5-bromo-3-pyridinyl)-4-(2-methoxyphenyl)piperazine (PubChem CID 115620485) has the molecular formula C16H18BrN3O and a molecular weight of 348.24 g/mol. Its IUPAC name is 1-(5-bromo-3-pyridinyl)-4-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-(5-bromo-3-pyridinyl)-4-(2-methoxyphenyl)piperazine
PubChem CID115620485
Molecular FormulaC16H18BrN3O
Molecular Weight348.24 g/mol
Exact Mass347.06
IUPAC Name1-(5-bromo-3-pyridinyl)-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(c2cncc(Br)c2)CC1
InChIInChI=1S/C16H18BrN3O/c1-21-16-5-3-2-4-15(16)20-8-6-19(7-9-20)14-10-13(17)11-18-12-14/h2-5,10-12H,6-9H2,1H3
InChIKeyAAKFOGMTWFZJOP-UHFFFAOYSA-N
XLogP3.18
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(5-bromo-3-pyridinyl)-4-(2-methoxyphenyl)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

5-bromo-3-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylpyridin-2-amine
CID 22515858
(5-hydroxy-3-pyridinyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 110854337
3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]-3-azabicyclo[3.2.2]nonane
CID 57317137
5-iodo-2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidine
CID 115620486
5-bromo-2-(2-methoxyphenyl)pyridazin-3-one
CID 134828443
1-[3-chloro-5-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]ethanone
CID 110453058
(7-chloroisoquinolin-4-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 134091245
1-ethynyl-4-(2-methoxyphenyl)piperazine
CID 67760707
1-(2-methoxyphenyl)-4-nitrosopiperazine
CID 154814146
1-(5-bromo-3-pyridinyl)-4-propylpiperazine
CID 115657003
1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-(2-methoxyphenyl)piperazine
CID 1375666
1-(chloromethyl)-4-(2-methoxyphenyl)piperazine
CID 19434771

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-pyridinyl)-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-(5-bromo-3-pyridinyl)-4-(2-methoxyphenyl)piperazine (CID 115620485) is 1-(5-bromo-3-pyridinyl)-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-(5-bromo-3-pyridinyl)-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-(5-bromo-3-pyridinyl)-4-(2-methoxyphenyl)piperazine is COc1ccccc1N1CCN(c2cncc(Br)c2)CC1.
What is the InChIKey of 1-(5-bromo-3-pyridinyl)-4-(2-methoxyphenyl)piperazine?
The InChIKey is AAKFOGMTWFZJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O/c1-21-16-5-3-2-4-15(16)20-8-6-19(7-9-20)14-10-13(17)11-18-12-14/h2-5,10-12H,6-9H2,1H3.
What are the key properties of 1-(5-bromo-3-pyridinyl)-4-(2-methoxyphenyl)piperazine?
1-(5-bromo-3-pyridinyl)-4-(2-methoxyphenyl)piperazine has a molecular weight of 348.24 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-pyridinyl)-4-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 115620485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).