2,6-diethynylpiperazine

C8H10N2 — CID 45079231

IUPAC2,6-diethynylpiperazine
SMILESC#CC1CNCC(C#C)N1
InChIInChI=1S/C8H10N2/c1-3-7-5-9-6-8(4-2)10-7/h1-2,7-10H,5-6H2
InChIKeyHJPIGJUVOQAPPF-UHFFFAOYSA-N
MW134.18 g/mol
LogP-0.82
Rot. Bonds

About 2,6-diethynylpiperazine

2,6-diethynylpiperazine (PubChem CID 45079231) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 2,6-diethynylpiperazine.

Molecular Properties

Compound Name2,6-diethynylpiperazine
PubChem CID45079231
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name2,6-diethynylpiperazine
SMILESC#CC1CNCC(C#C)N1
InChIInChI=1S/C8H10N2/c1-3-7-5-9-6-8(4-2)10-7/h1-2,7-10H,5-6H2
InChIKeyHJPIGJUVOQAPPF-UHFFFAOYSA-N
XLogP-0.82
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-diethynylpiperazine?
The IUPAC name of 2,6-diethynylpiperazine (CID 45079231) is 2,6-diethynylpiperazine.
What is the SMILES notation for 2,6-diethynylpiperazine?
The canonical SMILES for 2,6-diethynylpiperazine is C#CC1CNCC(C#C)N1.
What is the InChIKey of 2,6-diethynylpiperazine?
The InChIKey is HJPIGJUVOQAPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c1-3-7-5-9-6-8(4-2)10-7/h1-2,7-10H,5-6H2.
What are the key properties of 2,6-diethynylpiperazine?
2,6-diethynylpiperazine has a molecular weight of 134.18 g/mol, XLogP of -0.82, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diethynylpiperazine is sourced from PubChem (CID 45079231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).