1-benzofuran;piperazine

C12H16N2O — CID 68691578

IUPAC1-benzofuran;piperazine
SMILESC1CNCCN1.c1ccc2occc2c1
InChIInChI=1S/C8H6O.C4H10N2/c1-2-4-8-7(3-1)5-6-9-8;1-2-6-4-3-5-1/h1-6H;5-6H,1-4H2
InChIKeyNRYMRPLQESXQEQ-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.61
Rot. Bonds

About 1-benzofuran;piperazine

1-benzofuran;piperazine (PubChem CID 68691578) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-benzofuran;piperazine.

Molecular Properties

Compound Name1-benzofuran;piperazine
PubChem CID68691578
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name1-benzofuran;piperazine
SMILESC1CNCCN1.c1ccc2occc2c1
InChIInChI=1S/C8H6O.C4H10N2/c1-2-4-8-7(3-1)5-6-9-8;1-2-6-4-3-5-1/h1-6H;5-6H,1-4H2
InChIKeyNRYMRPLQESXQEQ-UHFFFAOYSA-N
XLogP1.61
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzofuran;piperazine?
The IUPAC name of 1-benzofuran;piperazine (CID 68691578) is 1-benzofuran;piperazine.
What is the SMILES notation for 1-benzofuran;piperazine?
The canonical SMILES for 1-benzofuran;piperazine is C1CNCCN1.c1ccc2occc2c1.
What is the InChIKey of 1-benzofuran;piperazine?
The InChIKey is NRYMRPLQESXQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O.C4H10N2/c1-2-4-8-7(3-1)5-6-9-8;1-2-6-4-3-5-1/h1-6H;5-6H,1-4H2.
What are the key properties of 1-benzofuran;piperazine?
1-benzofuran;piperazine has a molecular weight of 204.27 g/mol, XLogP of 1.61, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran;piperazine is sourced from PubChem (CID 68691578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).