2-(5-bromo-2-methoxyphenyl)piperazine

C11H15BrN2O — CID 82093166

IUPAC2-(5-bromo-2-methoxyphenyl)piperazine
SMILESCOc1ccc(Br)cc1C1CNCCN1
InChIInChI=1S/C11H15BrN2O/c1-15-11-3-2-8(12)6-9(11)10-7-13-4-5-14-10/h2-3,6,10,13-14H,4-5,7H2,1H3
InChIKeyBXBYFPMGSSWSEA-UHFFFAOYSA-N
MW271.16 g/mol
LogP1.69
Rot. Bonds2

About 2-(5-bromo-2-methoxyphenyl)piperazine

2-(5-bromo-2-methoxyphenyl)piperazine (PubChem CID 82093166) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is 2-(5-bromo-2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name2-(5-bromo-2-methoxyphenyl)piperazine
PubChem CID82093166
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name2-(5-bromo-2-methoxyphenyl)piperazine
SMILESCOc1ccc(Br)cc1C1CNCCN1
InChIInChI=1S/C11H15BrN2O/c1-15-11-3-2-8(12)6-9(11)10-7-13-4-5-14-10/h2-3,6,10,13-14H,4-5,7H2,1H3
InChIKeyBXBYFPMGSSWSEA-UHFFFAOYSA-N
XLogP1.69
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-2-methoxyphenyl)aziridine
CID 82473824
(2S)-2-(5-bromo-2-methoxyphenyl)azetidine;hydrochloride
CID 171196708
(2R)-2-(2,4-dimethoxyphenyl)piperazine;hydrochloride
CID 171194245
(2S)-2-(2-bromo-5-methoxyphenyl)piperazine;hydrochloride
CID 171193714
2-(2,5-difluoro-4-methoxyphenyl)piperazine
CID 116856206
5-(5-bromo-2-methoxyphenyl)pyrrolidin-2-one
CID 82160176
1-(5-bromo-2-methoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3969108
3-(5-bromo-2-methoxyphenyl)piperazine-2-carboxylic acid
CID 116829366
4-(5-bromo-2-methoxyphenyl)-3-(2-methylpropyl)piperidine
CID 79321574
4,5-dimethoxy-2-[(2R)-piperazin-2-yl]benzoic acid
CID 165348809
2-(5-tert-butyl-4-methoxy-2-methylphenyl)piperazine
CID 82302997
2-bromo-6-methoxy-4-[(2S)-piperazin-2-yl]phenol
CID 131624338

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methoxyphenyl)piperazine?
The IUPAC name of 2-(5-bromo-2-methoxyphenyl)piperazine (CID 82093166) is 2-(5-bromo-2-methoxyphenyl)piperazine.
What is the SMILES notation for 2-(5-bromo-2-methoxyphenyl)piperazine?
The canonical SMILES for 2-(5-bromo-2-methoxyphenyl)piperazine is COc1ccc(Br)cc1C1CNCCN1.
What is the InChIKey of 2-(5-bromo-2-methoxyphenyl)piperazine?
The InChIKey is BXBYFPMGSSWSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-15-11-3-2-8(12)6-9(11)10-7-13-4-5-14-10/h2-3,6,10,13-14H,4-5,7H2,1H3.
What are the key properties of 2-(5-bromo-2-methoxyphenyl)piperazine?
2-(5-bromo-2-methoxyphenyl)piperazine has a molecular weight of 271.16 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methoxyphenyl)piperazine is sourced from PubChem (CID 82093166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).