1-[3-(3-bromofuran-2-yl)prop-2-ynyl]piperazine

C11H13BrN2O — CID 63947780

IUPAC1-[3-(3-bromofuran-2-yl)prop-2-ynyl]piperazine
SMILESBrc1ccoc1C#CCN1CCNCC1
InChIInChI=1S/C11H13BrN2O/c12-10-3-9-15-11(10)2-1-6-14-7-4-13-5-8-14/h3,9,13H,4-8H2
InChIKeySIRBCYTWGKKZRE-UHFFFAOYSA-N
MW269.14 g/mol
LogP1.30
Rot. Bonds1

About 1-[3-(3-bromofuran-2-yl)prop-2-ynyl]piperazine

1-[3-(3-bromofuran-2-yl)prop-2-ynyl]piperazine (PubChem CID 63947780) has the molecular formula C11H13BrN2O and a molecular weight of 269.14 g/mol. Its IUPAC name is 1-[3-(3-bromofuran-2-yl)prop-2-ynyl]piperazine.

Molecular Properties

Compound Name1-[3-(3-bromofuran-2-yl)prop-2-ynyl]piperazine
PubChem CID63947780
Molecular FormulaC11H13BrN2O
Molecular Weight269.14 g/mol
Exact Mass268.02
IUPAC Name1-[3-(3-bromofuran-2-yl)prop-2-ynyl]piperazine
SMILESBrc1ccoc1C#CCN1CCNCC1
InChIInChI=1S/C11H13BrN2O/c12-10-3-9-15-11(10)2-1-6-14-7-4-13-5-8-14/h3,9,13H,4-8H2
InChIKeySIRBCYTWGKKZRE-UHFFFAOYSA-N
XLogP1.30
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-[3-(2,3,5,6-tetramethylphenyl)prop-2-ynyl]piperazine
CID 60799948
1-[3-(1,3-dihydro-2-benzofuran-5-yl)prop-2-ynyl]piperazine
CID 63019189
1-[3-(5-fluoro-2-methylphenyl)prop-2-ynyl]piperazine
CID 60799773
4-(3-piperazin-1-ylprop-1-ynyl)-1,2-thiazole
CID 164648652
1-[3-(1,3,5-trimethylpyrazol-4-yl)prop-2-ynyl]piperazine
CID 60802014
[2-(piperazin-1-ylmethyl)furan-3-yl]methanethiol
CID 82508549
1-(5,5-dimethylhex-2-ynyl)piperazine
CID 117269584
1-methyl-4-(4-piperazin-1-ylbut-2-ynyl)piperazine
CID 117269597
3-(piperazin-1-ylmethyl)furan-2-carboxylic acid;dihydrochloride
CID 50988437
1-[(3-thiophen-2-ylfuran-2-yl)methyl]piperazine
CID 82511710
1-[(5-bromofuran-2-yl)methyl]piperazine
CID 43143137
1-[(3-bromofuran-2-yl)methyl]piperidine
CID 130667893

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-bromofuran-2-yl)prop-2-ynyl]piperazine?
The IUPAC name of 1-[3-(3-bromofuran-2-yl)prop-2-ynyl]piperazine (CID 63947780) is 1-[3-(3-bromofuran-2-yl)prop-2-ynyl]piperazine.
What is the SMILES notation for 1-[3-(3-bromofuran-2-yl)prop-2-ynyl]piperazine?
The canonical SMILES for 1-[3-(3-bromofuran-2-yl)prop-2-ynyl]piperazine is Brc1ccoc1C#CCN1CCNCC1.
What is the InChIKey of 1-[3-(3-bromofuran-2-yl)prop-2-ynyl]piperazine?
The InChIKey is SIRBCYTWGKKZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O/c12-10-3-9-15-11(10)2-1-6-14-7-4-13-5-8-14/h3,9,13H,4-8H2.
What are the key properties of 1-[3-(3-bromofuran-2-yl)prop-2-ynyl]piperazine?
1-[3-(3-bromofuran-2-yl)prop-2-ynyl]piperazine has a molecular weight of 269.14 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-bromofuran-2-yl)prop-2-ynyl]piperazine is sourced from PubChem (CID 63947780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).