2-(1-benzofuran-2-yl)piperazine-1-carbaldehyde

C13H14N2O2 — CID 170987579

IUPAC2-(1-benzofuran-2-yl)piperazine-1-carbaldehyde
SMILESO=CN1CCNCC1c1cc2ccccc2o1
InChIInChI=1S/C13H14N2O2/c16-9-15-6-5-14-8-11(15)13-7-10-3-1-2-4-12(10)17-13/h1-4,7,9,11,14H,5-6,8H2
InChIKeyWSUJNUPDWJTGNL-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.54
Rot. Bonds2

About 2-(1-benzofuran-2-yl)piperazine-1-carbaldehyde

2-(1-benzofuran-2-yl)piperazine-1-carbaldehyde (PubChem CID 170987579) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)piperazine-1-carbaldehyde.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)piperazine-1-carbaldehyde
PubChem CID170987579
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name2-(1-benzofuran-2-yl)piperazine-1-carbaldehyde
SMILESO=CN1CCNCC1c1cc2ccccc2o1
InChIInChI=1S/C13H14N2O2/c16-9-15-6-5-14-8-11(15)13-7-10-3-1-2-4-12(10)17-13/h1-4,7,9,11,14H,5-6,8H2
InChIKeyWSUJNUPDWJTGNL-UHFFFAOYSA-N
XLogP1.54
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)piperazine-1-carbaldehyde?
The IUPAC name of 2-(1-benzofuran-2-yl)piperazine-1-carbaldehyde (CID 170987579) is 2-(1-benzofuran-2-yl)piperazine-1-carbaldehyde.
What is the SMILES notation for 2-(1-benzofuran-2-yl)piperazine-1-carbaldehyde?
The canonical SMILES for 2-(1-benzofuran-2-yl)piperazine-1-carbaldehyde is O=CN1CCNCC1c1cc2ccccc2o1.
What is the InChIKey of 2-(1-benzofuran-2-yl)piperazine-1-carbaldehyde?
The InChIKey is WSUJNUPDWJTGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c16-9-15-6-5-14-8-11(15)13-7-10-3-1-2-4-12(10)17-13/h1-4,7,9,11,14H,5-6,8H2.
What are the key properties of 2-(1-benzofuran-2-yl)piperazine-1-carbaldehyde?
2-(1-benzofuran-2-yl)piperazine-1-carbaldehyde has a molecular weight of 230.27 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-yl)piperazine-1-carbaldehyde is sourced from PubChem (CID 170987579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).