1-(3-bromofuran-2-yl)piperazine

C8H11BrN2O — CID 63947992

IUPAC1-(3-bromofuran-2-yl)piperazine
SMILESBrc1ccoc1N1CCNCC1
InChIInChI=1S/C8H11BrN2O/c9-7-1-6-12-8(7)11-4-2-10-3-5-11/h1,6,10H,2-5H2
InChIKeyKQUDNSZJNYGVHO-UHFFFAOYSA-N
MW231.09 g/mol
LogP1.45
Rot. Bonds1

About 1-(3-bromofuran-2-yl)piperazine

1-(3-bromofuran-2-yl)piperazine (PubChem CID 63947992) has the molecular formula C8H11BrN2O and a molecular weight of 231.09 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)piperazine.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)piperazine
PubChem CID63947992
Molecular FormulaC8H11BrN2O
Molecular Weight231.09 g/mol
Exact Mass230.01
IUPAC Name1-(3-bromofuran-2-yl)piperazine
SMILESBrc1ccoc1N1CCNCC1
InChIInChI=1S/C8H11BrN2O/c9-7-1-6-12-8(7)11-4-2-10-3-5-11/h1,6,10H,2-5H2
InChIKeyKQUDNSZJNYGVHO-UHFFFAOYSA-N
XLogP1.45
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.09
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromofuran-2-yl)piperazine?
The IUPAC name of 1-(3-bromofuran-2-yl)piperazine (CID 63947992) is 1-(3-bromofuran-2-yl)piperazine.
What is the SMILES notation for 1-(3-bromofuran-2-yl)piperazine?
The canonical SMILES for 1-(3-bromofuran-2-yl)piperazine is Brc1ccoc1N1CCNCC1.
What is the InChIKey of 1-(3-bromofuran-2-yl)piperazine?
The InChIKey is KQUDNSZJNYGVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2O/c9-7-1-6-12-8(7)11-4-2-10-3-5-11/h1,6,10H,2-5H2.
What are the key properties of 1-(3-bromofuran-2-yl)piperazine?
1-(3-bromofuran-2-yl)piperazine has a molecular weight of 231.09 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromofuran-2-yl)piperazine is sourced from PubChem (CID 63947992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).