2-piperazin-2-yl-1-azabicyclo[2.2.2]octane

C11H21N3 — CID 22721248

IUPAC2-piperazin-2-yl-1-azabicyclo[2.2.2]octane
SMILESC1CNC(C2CC3CCN2CC3)CN1
InChIInChI=1S/C11H21N3/c1-5-14-6-2-9(1)7-11(14)10-8-12-3-4-13-10/h9-13H,1-8H2
InChIKeyRNFGPWJDGJIONB-UHFFFAOYSA-N
MW195.31 g/mol
LogP0.03
Rot. Bonds1

About 2-piperazin-2-yl-1-azabicyclo[2.2.2]octane

2-piperazin-2-yl-1-azabicyclo[2.2.2]octane (PubChem CID 22721248) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-piperazin-2-yl-1-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name2-piperazin-2-yl-1-azabicyclo[2.2.2]octane
PubChem CID22721248
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name2-piperazin-2-yl-1-azabicyclo[2.2.2]octane
SMILESC1CNC(C2CC3CCN2CC3)CN1
InChIInChI=1S/C11H21N3/c1-5-14-6-2-9(1)7-11(14)10-8-12-3-4-13-10/h9-13H,1-8H2
InChIKeyRNFGPWJDGJIONB-UHFFFAOYSA-N
XLogP0.03
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-piperazin-2-yl-1-azabicyclo[2.2.2]octane?
The IUPAC name of 2-piperazin-2-yl-1-azabicyclo[2.2.2]octane (CID 22721248) is 2-piperazin-2-yl-1-azabicyclo[2.2.2]octane.
What is the SMILES notation for 2-piperazin-2-yl-1-azabicyclo[2.2.2]octane?
The canonical SMILES for 2-piperazin-2-yl-1-azabicyclo[2.2.2]octane is C1CNC(C2CC3CCN2CC3)CN1.
What is the InChIKey of 2-piperazin-2-yl-1-azabicyclo[2.2.2]octane?
The InChIKey is RNFGPWJDGJIONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-5-14-6-2-9(1)7-11(14)10-8-12-3-4-13-10/h9-13H,1-8H2.
What are the key properties of 2-piperazin-2-yl-1-azabicyclo[2.2.2]octane?
2-piperazin-2-yl-1-azabicyclo[2.2.2]octane has a molecular weight of 195.31 g/mol, XLogP of 0.03, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-2-yl-1-azabicyclo[2.2.2]octane is sourced from PubChem (CID 22721248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).