1-[2-(5-bromo-2-methylfuran-3-yl)ethyl]piperazine

C11H17BrN2O — CID 82667448

IUPAC1-[2-(5-bromo-2-methylfuran-3-yl)ethyl]piperazine
SMILESCc1oc(Br)cc1CCN1CCNCC1
InChIInChI=1S/C11H17BrN2O/c1-9-10(8-11(12)15-9)2-5-14-6-3-13-4-7-14/h8,13H,2-7H2,1H3
InChIKeyLBRJMDFBSVDKPE-UHFFFAOYSA-N
MW273.17 g/mol
LogP1.80
Rot. Bonds3

About 1-[2-(5-bromo-2-methylfuran-3-yl)ethyl]piperazine

1-[2-(5-bromo-2-methylfuran-3-yl)ethyl]piperazine (PubChem CID 82667448) has the molecular formula C11H17BrN2O and a molecular weight of 273.17 g/mol. Its IUPAC name is 1-[2-(5-bromo-2-methylfuran-3-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-[2-(5-bromo-2-methylfuran-3-yl)ethyl]piperazine
PubChem CID82667448
Molecular FormulaC11H17BrN2O
Molecular Weight273.17 g/mol
Exact Mass272.05
IUPAC Name1-[2-(5-bromo-2-methylfuran-3-yl)ethyl]piperazine
SMILESCc1oc(Br)cc1CCN1CCNCC1
InChIInChI=1S/C11H17BrN2O/c1-9-10(8-11(12)15-9)2-5-14-6-3-13-4-7-14/h8,13H,2-7H2,1H3
InChIKeyLBRJMDFBSVDKPE-UHFFFAOYSA-N
XLogP1.80
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.17
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,3,5-trimethylphenyl)ethyl]piperazine
CID 117337037
2-bromo-4-methyl-5-(2-piperazin-1-ylethyl)-1,3-oxazole
CID 84713876
1-[2-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)ethyl]piperazine
CID 117442959
1-[2-(6-methyl-1,3-benzodioxol-4-yl)ethyl]piperazine
CID 117374191
1-[2-(2-bromothiophen-3-yl)ethyl]piperazine
CID 82667485
1-[2-(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]piperazine
CID 117442969
1-[2-(4-bromo-3-methylphenyl)ethyl]piperazine
CID 82264462
1-[2-(2-fluoro-3,5-dimethylphenyl)ethyl]piperazine
CID 84798248
1-[2-(2,4,6-trimethylphenyl)ethyl]piperazine
CID 15391878
1-[2-(2-ethyl-5-fluorophenyl)ethyl]piperazine
CID 84798240
1-[2-[4,5-dimethoxy-2-(methoxymethyl)phenyl]ethyl]piperazine
CID 117475075
1-[2-(1,3-dimethylpyrazol-4-yl)ethyl]piperazine
CID 82611840

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-bromo-2-methylfuran-3-yl)ethyl]piperazine?
The IUPAC name of 1-[2-(5-bromo-2-methylfuran-3-yl)ethyl]piperazine (CID 82667448) is 1-[2-(5-bromo-2-methylfuran-3-yl)ethyl]piperazine.
What is the SMILES notation for 1-[2-(5-bromo-2-methylfuran-3-yl)ethyl]piperazine?
The canonical SMILES for 1-[2-(5-bromo-2-methylfuran-3-yl)ethyl]piperazine is Cc1oc(Br)cc1CCN1CCNCC1.
What is the InChIKey of 1-[2-(5-bromo-2-methylfuran-3-yl)ethyl]piperazine?
The InChIKey is LBRJMDFBSVDKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O/c1-9-10(8-11(12)15-9)2-5-14-6-3-13-4-7-14/h8,13H,2-7H2,1H3.
What are the key properties of 1-[2-(5-bromo-2-methylfuran-3-yl)ethyl]piperazine?
1-[2-(5-bromo-2-methylfuran-3-yl)ethyl]piperazine has a molecular weight of 273.17 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-bromo-2-methylfuran-3-yl)ethyl]piperazine is sourced from PubChem (CID 82667448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).