1,3-bis(ethenyl)piperazine

C8H14N2 — CID 121376458

IUPAC1,3-bis(ethenyl)piperazine
SMILESC=CC1CN(C=C)CCN1
InChIInChI=1S/C8H14N2/c1-3-8-7-10(4-2)6-5-9-8/h3-4,8-9H,1-2,5-7H2
InChIKeyBAGGMKXIVMFJHG-UHFFFAOYSA-N
MW138.21 g/mol
LogP0.59
Rot. Bonds2

About 1,3-bis(ethenyl)piperazine

1,3-bis(ethenyl)piperazine (PubChem CID 121376458) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 1,3-bis(ethenyl)piperazine.

Molecular Properties

Compound Name1,3-bis(ethenyl)piperazine
PubChem CID121376458
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name1,3-bis(ethenyl)piperazine
SMILESC=CC1CN(C=C)CCN1
InChIInChI=1S/C8H14N2/c1-3-8-7-10(4-2)6-5-9-8/h3-4,8-9H,1-2,5-7H2
InChIKeyBAGGMKXIVMFJHG-UHFFFAOYSA-N
XLogP0.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(ethenyl)piperazine?
The IUPAC name of 1,3-bis(ethenyl)piperazine (CID 121376458) is 1,3-bis(ethenyl)piperazine.
What is the SMILES notation for 1,3-bis(ethenyl)piperazine?
The canonical SMILES for 1,3-bis(ethenyl)piperazine is C=CC1CN(C=C)CCN1.
What is the InChIKey of 1,3-bis(ethenyl)piperazine?
The InChIKey is BAGGMKXIVMFJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-3-8-7-10(4-2)6-5-9-8/h3-4,8-9H,1-2,5-7H2.
What are the key properties of 1,3-bis(ethenyl)piperazine?
1,3-bis(ethenyl)piperazine has a molecular weight of 138.21 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(ethenyl)piperazine is sourced from PubChem (CID 121376458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).