1-(azetidin-3-yl)-4-[(4,5-dibromofuran-2-yl)methyl]piperazine

C12H17Br2N3O — CID 66202696

IUPAC1-(azetidin-3-yl)-4-[(4,5-dibromofuran-2-yl)methyl]piperazine
SMILESBrc1cc(CN2CCN(C3CNC3)CC2)oc1Br
InChIInChI=1S/C12H17Br2N3O/c13-11-5-10(18-12(11)14)8-16-1-3-17(4-2-16)9-6-15-7-9/h5,9,15H,1-4,6-8H2
InChIKeyHUCQMXMSLJXYKN-UHFFFAOYSA-N
MW379.10 g/mol
LogP1.89
Rot. Bonds3

About 1-(azetidin-3-yl)-4-[(4,5-dibromofuran-2-yl)methyl]piperazine

1-(azetidin-3-yl)-4-[(4,5-dibromofuran-2-yl)methyl]piperazine (PubChem CID 66202696) has the molecular formula C12H17Br2N3O and a molecular weight of 379.10 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-4-[(4,5-dibromofuran-2-yl)methyl]piperazine.

Molecular Properties

Compound Name1-(azetidin-3-yl)-4-[(4,5-dibromofuran-2-yl)methyl]piperazine
PubChem CID66202696
Molecular FormulaC12H17Br2N3O
Molecular Weight379.10 g/mol
Exact Mass376.97
IUPAC Name1-(azetidin-3-yl)-4-[(4,5-dibromofuran-2-yl)methyl]piperazine
SMILESBrc1cc(CN2CCN(C3CNC3)CC2)oc1Br
InChIInChI=1S/C12H17Br2N3O/c13-11-5-10(18-12(11)14)8-16-1-3-17(4-2-16)9-6-15-7-9/h5,9,15H,1-4,6-8H2
InChIKeyHUCQMXMSLJXYKN-UHFFFAOYSA-N
XLogP1.89
TPSA31.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.10
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-4-[(4,5-dibromofuran-2-yl)methyl]piperazine?
The IUPAC name of 1-(azetidin-3-yl)-4-[(4,5-dibromofuran-2-yl)methyl]piperazine (CID 66202696) is 1-(azetidin-3-yl)-4-[(4,5-dibromofuran-2-yl)methyl]piperazine.
What is the SMILES notation for 1-(azetidin-3-yl)-4-[(4,5-dibromofuran-2-yl)methyl]piperazine?
The canonical SMILES for 1-(azetidin-3-yl)-4-[(4,5-dibromofuran-2-yl)methyl]piperazine is Brc1cc(CN2CCN(C3CNC3)CC2)oc1Br.
What is the InChIKey of 1-(azetidin-3-yl)-4-[(4,5-dibromofuran-2-yl)methyl]piperazine?
The InChIKey is HUCQMXMSLJXYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Br2N3O/c13-11-5-10(18-12(11)14)8-16-1-3-17(4-2-16)9-6-15-7-9/h5,9,15H,1-4,6-8H2.
What are the key properties of 1-(azetidin-3-yl)-4-[(4,5-dibromofuran-2-yl)methyl]piperazine?
1-(azetidin-3-yl)-4-[(4,5-dibromofuran-2-yl)methyl]piperazine has a molecular weight of 379.10 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-4-[(4,5-dibromofuran-2-yl)methyl]piperazine is sourced from PubChem (CID 66202696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).