1-[(3-thiophen-2-ylfuran-2-yl)methyl]piperazine

C13H16N2OS — CID 82511710

IUPAC1-[(3-thiophen-2-ylfuran-2-yl)methyl]piperazine
SMILESc1csc(-c2ccoc2CN2CCNCC2)c1
InChIInChI=1S/C13H16N2OS/c1-2-13(17-9-1)11-3-8-16-12(11)10-15-6-4-14-5-7-15/h1-3,8-9,14H,4-7,10H2
InChIKeyHFIWNNQNPBGVBF-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.41
Rot. Bonds3

About 1-[(3-thiophen-2-ylfuran-2-yl)methyl]piperazine

1-[(3-thiophen-2-ylfuran-2-yl)methyl]piperazine (PubChem CID 82511710) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 1-[(3-thiophen-2-ylfuran-2-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(3-thiophen-2-ylfuran-2-yl)methyl]piperazine
PubChem CID82511710
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name1-[(3-thiophen-2-ylfuran-2-yl)methyl]piperazine
SMILESc1csc(-c2ccoc2CN2CCNCC2)c1
InChIInChI=1S/C13H16N2OS/c1-2-13(17-9-1)11-3-8-16-12(11)10-15-6-4-14-5-7-15/h1-3,8-9,14H,4-7,10H2
InChIKeyHFIWNNQNPBGVBF-UHFFFAOYSA-N
XLogP2.41
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-thiophen-2-ylfuran-2-yl)methyl]piperazine?
The IUPAC name of 1-[(3-thiophen-2-ylfuran-2-yl)methyl]piperazine (CID 82511710) is 1-[(3-thiophen-2-ylfuran-2-yl)methyl]piperazine.
What is the SMILES notation for 1-[(3-thiophen-2-ylfuran-2-yl)methyl]piperazine?
The canonical SMILES for 1-[(3-thiophen-2-ylfuran-2-yl)methyl]piperazine is c1csc(-c2ccoc2CN2CCNCC2)c1.
What is the InChIKey of 1-[(3-thiophen-2-ylfuran-2-yl)methyl]piperazine?
The InChIKey is HFIWNNQNPBGVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-2-13(17-9-1)11-3-8-16-12(11)10-15-6-4-14-5-7-15/h1-3,8-9,14H,4-7,10H2.
What are the key properties of 1-[(3-thiophen-2-ylfuran-2-yl)methyl]piperazine?
1-[(3-thiophen-2-ylfuran-2-yl)methyl]piperazine has a molecular weight of 248.35 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-thiophen-2-ylfuran-2-yl)methyl]piperazine is sourced from PubChem (CID 82511710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).