2-phenylfuran;piperazine

C14H18N2O — CID 68614405

IUPAC2-phenylfuran;piperazine
SMILESC1CNCCN1.c1ccc(-c2ccco2)cc1
InChIInChI=1S/C10H8O.C4H10N2/c1-2-5-9(6-3-1)10-7-4-8-11-10;1-2-6-4-3-5-1/h1-8H;5-6H,1-4H2
InChIKeyNKQBBIXTZLMCKZ-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.13
Rot. Bonds1

About 2-phenylfuran;piperazine

2-phenylfuran;piperazine (PubChem CID 68614405) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-phenylfuran;piperazine.

Molecular Properties

Compound Name2-phenylfuran;piperazine
PubChem CID68614405
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-phenylfuran;piperazine
SMILESC1CNCCN1.c1ccc(-c2ccco2)cc1
InChIInChI=1S/C10H8O.C4H10N2/c1-2-5-9(6-3-1)10-7-4-8-11-10;1-2-6-4-3-5-1/h1-8H;5-6H,1-4H2
InChIKeyNKQBBIXTZLMCKZ-UHFFFAOYSA-N
XLogP2.13
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenylfuran;piperazine?
The IUPAC name of 2-phenylfuran;piperazine (CID 68614405) is 2-phenylfuran;piperazine.
What is the SMILES notation for 2-phenylfuran;piperazine?
The canonical SMILES for 2-phenylfuran;piperazine is C1CNCCN1.c1ccc(-c2ccco2)cc1.
What is the InChIKey of 2-phenylfuran;piperazine?
The InChIKey is NKQBBIXTZLMCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O.C4H10N2/c1-2-5-9(6-3-1)10-7-4-8-11-10;1-2-6-4-3-5-1/h1-8H;5-6H,1-4H2.
What are the key properties of 2-phenylfuran;piperazine?
2-phenylfuran;piperazine has a molecular weight of 230.31 g/mol, XLogP of 2.13, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylfuran;piperazine is sourced from PubChem (CID 68614405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).