3-(5-bromofuran-2-yl)-1-methylpiperazine

C9H13BrN2O — CID 82664929

IUPAC3-(5-bromofuran-2-yl)-1-methylpiperazine
SMILESCN1CCNC(c2ccc(Br)o2)C1
InChIInChI=1S/C9H13BrN2O/c1-12-5-4-11-7(6-12)8-2-3-9(10)13-8/h2-3,7,11H,4-6H2,1H3
InChIKeyNJHLXDSRMWYZHX-UHFFFAOYSA-N
MW245.12 g/mol
LogP1.62
Rot. Bonds1

About 3-(5-bromofuran-2-yl)-1-methylpiperazine

3-(5-bromofuran-2-yl)-1-methylpiperazine (PubChem CID 82664929) has the molecular formula C9H13BrN2O and a molecular weight of 245.12 g/mol. Its IUPAC name is 3-(5-bromofuran-2-yl)-1-methylpiperazine.

Molecular Properties

Compound Name3-(5-bromofuran-2-yl)-1-methylpiperazine
PubChem CID82664929
Molecular FormulaC9H13BrN2O
Molecular Weight245.12 g/mol
Exact Mass244.02
IUPAC Name3-(5-bromofuran-2-yl)-1-methylpiperazine
SMILESCN1CCNC(c2ccc(Br)o2)C1
InChIInChI=1S/C9H13BrN2O/c1-12-5-4-11-7(6-12)8-2-3-9(10)13-8/h2-3,7,11H,4-6H2,1H3
InChIKeyNJHLXDSRMWYZHX-UHFFFAOYSA-N
XLogP1.62
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 ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 66617407
2-(4-methylpiperazin-2-yl)phenol
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3-(2,4-dimethoxy-3-methylphenyl)-1-methylpiperazine
CID 82297569
1-methyl-3-(1-methylpyrrol-3-yl)piperazine
CID 82280749
1-methyl-3-(2-methyl-1-benzofuran-3-yl)piperazine
CID 116987398
2-(4-methylpiperazin-2-yl)-1,3-oxazole
CID 69278640
3-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)-1-methylpiperazine
CID 116986381
2-(5-bromofuran-2-yl)-1,3-thiazinane
CID 66218265
1-methyl-3-(2,4,6-trimethylphenyl)piperazine
CID 82114107
3-(2-methoxy-5-methylphenyl)-1-methylpiperazine
CID 82114400
3-(6-chloro-3-pyridinyl)-1-methylpiperazine
CID 131537539
(3S)-1-[(5-bromofuran-2-yl)methyl]-3-methylpiperazine
CID 104976695

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromofuran-2-yl)-1-methylpiperazine?
The IUPAC name of 3-(5-bromofuran-2-yl)-1-methylpiperazine (CID 82664929) is 3-(5-bromofuran-2-yl)-1-methylpiperazine.
What is the SMILES notation for 3-(5-bromofuran-2-yl)-1-methylpiperazine?
The canonical SMILES for 3-(5-bromofuran-2-yl)-1-methylpiperazine is CN1CCNC(c2ccc(Br)o2)C1.
What is the InChIKey of 3-(5-bromofuran-2-yl)-1-methylpiperazine?
The InChIKey is NJHLXDSRMWYZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O/c1-12-5-4-11-7(6-12)8-2-3-9(10)13-8/h2-3,7,11H,4-6H2,1H3.
What are the key properties of 3-(5-bromofuran-2-yl)-1-methylpiperazine?
3-(5-bromofuran-2-yl)-1-methylpiperazine has a molecular weight of 245.12 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromofuran-2-yl)-1-methylpiperazine is sourced from PubChem (CID 82664929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).