3-(4-methylpiperazin-1-yl)-1-azabicyclo[2.2.2]octane

C12H23N3 — CID 70902451

IUPAC3-(4-methylpiperazin-1-yl)-1-azabicyclo[2.2.2]octane
SMILESCN1CCN(C2CN3CCC2CC3)CC1
InChIInChI=1S/C12H23N3/c1-13-6-8-15(9-7-13)12-10-14-4-2-11(12)3-5-14/h11-12H,2-10H2,1H3
InChIKeyFLIVEJJSANUVJO-UHFFFAOYSA-N
MW209.34 g/mol
LogP0.33
Rot. Bonds1

About 3-(4-methylpiperazin-1-yl)-1-azabicyclo[2.2.2]octane

3-(4-methylpiperazin-1-yl)-1-azabicyclo[2.2.2]octane (PubChem CID 70902451) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)-1-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)-1-azabicyclo[2.2.2]octane
PubChem CID70902451
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name3-(4-methylpiperazin-1-yl)-1-azabicyclo[2.2.2]octane
SMILESCN1CCN(C2CN3CCC2CC3)CC1
InChIInChI=1S/C12H23N3/c1-13-6-8-15(9-7-13)12-10-14-4-2-11(12)3-5-14/h11-12H,2-10H2,1H3
InChIKeyFLIVEJJSANUVJO-UHFFFAOYSA-N
XLogP0.33
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)-1-azabicyclo[2.2.2]octane?
The IUPAC name of 3-(4-methylpiperazin-1-yl)-1-azabicyclo[2.2.2]octane (CID 70902451) is 3-(4-methylpiperazin-1-yl)-1-azabicyclo[2.2.2]octane.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)-1-azabicyclo[2.2.2]octane?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)-1-azabicyclo[2.2.2]octane is CN1CCN(C2CN3CCC2CC3)CC1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)-1-azabicyclo[2.2.2]octane?
The InChIKey is FLIVEJJSANUVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-13-6-8-15(9-7-13)12-10-14-4-2-11(12)3-5-14/h11-12H,2-10H2,1H3.
What are the key properties of 3-(4-methylpiperazin-1-yl)-1-azabicyclo[2.2.2]octane?
3-(4-methylpiperazin-1-yl)-1-azabicyclo[2.2.2]octane has a molecular weight of 209.34 g/mol, XLogP of 0.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)-1-azabicyclo[2.2.2]octane is sourced from PubChem (CID 70902451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).