2-(1-methylpiperazin-2-yl)-1-azabicyclo[2.2.2]octane

C12H23N3 — CID 19420335

IUPAC2-(1-methylpiperazin-2-yl)-1-azabicyclo[2.2.2]octane
SMILESCN1CCNCC1C1CC2CCN1CC2
InChIInChI=1S/C12H23N3/c1-14-7-4-13-9-12(14)11-8-10-2-5-15(11)6-3-10/h10-13H,2-9H2,1H3
InChIKeyGXIWSCUIBVLHJQ-UHFFFAOYSA-N
MW209.34 g/mol
LogP0.37
Rot. Bonds1

About 2-(1-methylpiperazin-2-yl)-1-azabicyclo[2.2.2]octane

2-(1-methylpiperazin-2-yl)-1-azabicyclo[2.2.2]octane (PubChem CID 19420335) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 2-(1-methylpiperazin-2-yl)-1-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name2-(1-methylpiperazin-2-yl)-1-azabicyclo[2.2.2]octane
PubChem CID19420335
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name2-(1-methylpiperazin-2-yl)-1-azabicyclo[2.2.2]octane
SMILESCN1CCNCC1C1CC2CCN1CC2
InChIInChI=1S/C12H23N3/c1-14-7-4-13-9-12(14)11-8-10-2-5-15(11)6-3-10/h10-13H,2-9H2,1H3
InChIKeyGXIWSCUIBVLHJQ-UHFFFAOYSA-N
XLogP0.37
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperazin-2-yl)-1-azabicyclo[2.2.2]octane?
The IUPAC name of 2-(1-methylpiperazin-2-yl)-1-azabicyclo[2.2.2]octane (CID 19420335) is 2-(1-methylpiperazin-2-yl)-1-azabicyclo[2.2.2]octane.
What is the SMILES notation for 2-(1-methylpiperazin-2-yl)-1-azabicyclo[2.2.2]octane?
The canonical SMILES for 2-(1-methylpiperazin-2-yl)-1-azabicyclo[2.2.2]octane is CN1CCNCC1C1CC2CCN1CC2.
What is the InChIKey of 2-(1-methylpiperazin-2-yl)-1-azabicyclo[2.2.2]octane?
The InChIKey is GXIWSCUIBVLHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-14-7-4-13-9-12(14)11-8-10-2-5-15(11)6-3-10/h10-13H,2-9H2,1H3.
What are the key properties of 2-(1-methylpiperazin-2-yl)-1-azabicyclo[2.2.2]octane?
2-(1-methylpiperazin-2-yl)-1-azabicyclo[2.2.2]octane has a molecular weight of 209.34 g/mol, XLogP of 0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperazin-2-yl)-1-azabicyclo[2.2.2]octane is sourced from PubChem (CID 19420335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).