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

C9H13BrN2O — CID 63950611

IUPAC1-(3-bromofuran-2-yl)-3-methylpiperazine
SMILESCC1CN(c2occc2Br)CCN1
InChIInChI=1S/C9H13BrN2O/c1-7-6-12(4-3-11-7)9-8(10)2-5-13-9/h2,5,7,11H,3-4,6H2,1H3
InChIKeyVXZWPXMJEMIOSK-UHFFFAOYSA-N
MW245.12 g/mol
LogP1.84
Rot. Bonds1

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

1-(3-bromofuran-2-yl)-3-methylpiperazine (PubChem CID 63950611) has the molecular formula C9H13BrN2O and a molecular weight of 245.12 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)-3-methylpiperazine.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)-3-methylpiperazine
PubChem CID63950611
Molecular FormulaC9H13BrN2O
Molecular Weight245.12 g/mol
Exact Mass244.02
IUPAC Name1-(3-bromofuran-2-yl)-3-methylpiperazine
SMILESCC1CN(c2occc2Br)CCN1
InChIInChI=1S/C9H13BrN2O/c1-7-6-12(4-3-11-7)9-8(10)2-5-13-9/h2,5,7,11H,3-4,6H2,1H3
InChIKeyVXZWPXMJEMIOSK-UHFFFAOYSA-N
XLogP1.84
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 51.84
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)-3-methylpiperazine?
The IUPAC name of 1-(3-bromofuran-2-yl)-3-methylpiperazine (CID 63950611) is 1-(3-bromofuran-2-yl)-3-methylpiperazine.
What is the SMILES notation for 1-(3-bromofuran-2-yl)-3-methylpiperazine?
The canonical SMILES for 1-(3-bromofuran-2-yl)-3-methylpiperazine is CC1CN(c2occc2Br)CCN1.
What is the InChIKey of 1-(3-bromofuran-2-yl)-3-methylpiperazine?
The InChIKey is VXZWPXMJEMIOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O/c1-7-6-12(4-3-11-7)9-8(10)2-5-13-9/h2,5,7,11H,3-4,6H2,1H3.
What are the key properties of 1-(3-bromofuran-2-yl)-3-methylpiperazine?
1-(3-bromofuran-2-yl)-3-methylpiperazine has a molecular weight of 245.12 g/mol, XLogP of 1.84, 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)-3-methylpiperazine is sourced from PubChem (CID 63950611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).