1,4-diazabicyclo[2.2.2]octane;piperazine

C14H32N6 — CID 67824400

IUPAC1,4-diazabicyclo[2.2.2]octane;piperazine
SMILESC1CN2CCN1CC2.C1CNCCN1.C1CNCCN1
InChIInChI=1S/C6H12N2.2C4H10N2/c1-2-8-5-3-7(1)4-6-8;2*1-2-6-4-3-5-1/h1-6H2;2*5-6H,1-4H2
InChIKeyBTPPAGHCAXWVPE-UHFFFAOYSA-N
MW284.45 g/mol
LogP-2.02
Rot. Bonds

About 1,4-diazabicyclo[2.2.2]octane;piperazine

1,4-diazabicyclo[2.2.2]octane;piperazine (PubChem CID 67824400) has the molecular formula C14H32N6 and a molecular weight of 284.45 g/mol. Its IUPAC name is 1,4-diazabicyclo[2.2.2]octane;piperazine.

Molecular Properties

Compound Name1,4-diazabicyclo[2.2.2]octane;piperazine
PubChem CID67824400
Molecular FormulaC14H32N6
Molecular Weight284.45 g/mol
Exact Mass284.27
IUPAC Name1,4-diazabicyclo[2.2.2]octane;piperazine
SMILESC1CN2CCN1CC2.C1CNCCN1.C1CNCCN1
InChIInChI=1S/C6H12N2.2C4H10N2/c1-2-8-5-3-7(1)4-6-8;2*1-2-6-4-3-5-1/h1-6H2;2*5-6H,1-4H2
InChIKeyBTPPAGHCAXWVPE-UHFFFAOYSA-N
XLogP-2.02
TPSA54.60 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 5-2.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,4-diazabicyclo[2.2.2]octane;piperazine?
The IUPAC name of 1,4-diazabicyclo[2.2.2]octane;piperazine (CID 67824400) is 1,4-diazabicyclo[2.2.2]octane;piperazine.
What is the SMILES notation for 1,4-diazabicyclo[2.2.2]octane;piperazine?
The canonical SMILES for 1,4-diazabicyclo[2.2.2]octane;piperazine is C1CN2CCN1CC2.C1CNCCN1.C1CNCCN1.
What is the InChIKey of 1,4-diazabicyclo[2.2.2]octane;piperazine?
The InChIKey is BTPPAGHCAXWVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2.2C4H10N2/c1-2-8-5-3-7(1)4-6-8;2*1-2-6-4-3-5-1/h1-6H2;2*5-6H,1-4H2.
What are the key properties of 1,4-diazabicyclo[2.2.2]octane;piperazine?
1,4-diazabicyclo[2.2.2]octane;piperazine has a molecular weight of 284.45 g/mol, XLogP of -2.02, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diazabicyclo[2.2.2]octane;piperazine is sourced from PubChem (CID 67824400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).