3-piperazin-1-yl-1-azabicyclo[2.2.2]octane

C11H21N3 — CID 22120228

IUPAC3-piperazin-1-yl-1-azabicyclo[2.2.2]octane
SMILESC1CN(C2CN3CCC2CC3)CCN1
InChIInChI=1S/C11H21N3/c1-5-13-6-2-10(1)11(9-13)14-7-3-12-4-8-14/h10-12H,1-9H2
InChIKeyOTHJERZPEMHLGD-UHFFFAOYSA-N
MW195.31 g/mol
LogP-0.01
Rot. Bonds1

About 3-piperazin-1-yl-1-azabicyclo[2.2.2]octane

3-piperazin-1-yl-1-azabicyclo[2.2.2]octane (PubChem CID 22120228) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 3-piperazin-1-yl-1-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name3-piperazin-1-yl-1-azabicyclo[2.2.2]octane
PubChem CID22120228
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name3-piperazin-1-yl-1-azabicyclo[2.2.2]octane
SMILESC1CN(C2CN3CCC2CC3)CCN1
InChIInChI=1S/C11H21N3/c1-5-13-6-2-10(1)11(9-13)14-7-3-12-4-8-14/h10-12H,1-9H2
InChIKeyOTHJERZPEMHLGD-UHFFFAOYSA-N
XLogP-0.01
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-piperazin-1-yl-1-azabicyclo[2.2.2]octane?
The IUPAC name of 3-piperazin-1-yl-1-azabicyclo[2.2.2]octane (CID 22120228) is 3-piperazin-1-yl-1-azabicyclo[2.2.2]octane.
What is the SMILES notation for 3-piperazin-1-yl-1-azabicyclo[2.2.2]octane?
The canonical SMILES for 3-piperazin-1-yl-1-azabicyclo[2.2.2]octane is C1CN(C2CN3CCC2CC3)CCN1.
What is the InChIKey of 3-piperazin-1-yl-1-azabicyclo[2.2.2]octane?
The InChIKey is OTHJERZPEMHLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-5-13-6-2-10(1)11(9-13)14-7-3-12-4-8-14/h10-12H,1-9H2.
What are the key properties of 3-piperazin-1-yl-1-azabicyclo[2.2.2]octane?
3-piperazin-1-yl-1-azabicyclo[2.2.2]octane has a molecular weight of 195.31 g/mol, XLogP of -0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperazin-1-yl-1-azabicyclo[2.2.2]octane is sourced from PubChem (CID 22120228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).