1-(5-ethenoxy-3-pyridinyl)piperazine

C11H15N3O — CID 11493499

IUPAC1-(5-ethenoxy-3-pyridinyl)piperazine
SMILESC=COc1cncc(N2CCNCC2)c1
InChIInChI=1S/C11H15N3O/c1-2-15-11-7-10(8-13-9-11)14-5-3-12-4-6-14/h2,7-9,12H,1,3-6H2
InChIKeyVBUZMQUXIQZALI-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.01
Rot. Bonds3

About 1-(5-ethenoxy-3-pyridinyl)piperazine

1-(5-ethenoxy-3-pyridinyl)piperazine (PubChem CID 11493499) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-(5-ethenoxy-3-pyridinyl)piperazine.

Molecular Properties

Compound Name1-(5-ethenoxy-3-pyridinyl)piperazine
PubChem CID11493499
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name1-(5-ethenoxy-3-pyridinyl)piperazine
SMILESC=COc1cncc(N2CCNCC2)c1
InChIInChI=1S/C11H15N3O/c1-2-15-11-7-10(8-13-9-11)14-5-3-12-4-6-14/h2,7-9,12H,1,3-6H2
InChIKeyVBUZMQUXIQZALI-UHFFFAOYSA-N
XLogP1.01
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethenoxy-3-pyridinyl)piperazine?
The IUPAC name of 1-(5-ethenoxy-3-pyridinyl)piperazine (CID 11493499) is 1-(5-ethenoxy-3-pyridinyl)piperazine.
What is the SMILES notation for 1-(5-ethenoxy-3-pyridinyl)piperazine?
The canonical SMILES for 1-(5-ethenoxy-3-pyridinyl)piperazine is C=COc1cncc(N2CCNCC2)c1.
What is the InChIKey of 1-(5-ethenoxy-3-pyridinyl)piperazine?
The InChIKey is VBUZMQUXIQZALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-2-15-11-7-10(8-13-9-11)14-5-3-12-4-6-14/h2,7-9,12H,1,3-6H2.
What are the key properties of 1-(5-ethenoxy-3-pyridinyl)piperazine?
1-(5-ethenoxy-3-pyridinyl)piperazine has a molecular weight of 205.26 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethenoxy-3-pyridinyl)piperazine is sourced from PubChem (CID 11493499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).