3-(2,5-diethyl-5-methylpiperazin-1-yl)-1-azabicyclo[2.2.2]octane

C16H31N3 — CID 64932860

IUPAC3-(2,5-diethyl-5-methylpiperazin-1-yl)-1-azabicyclo[2.2.2]octane
SMILESCCC1CNC(C)(CC)CN1C1CN2CCC1CC2
InChIInChI=1S/C16H31N3/c1-4-14-10-17-16(3,5-2)12-19(14)15-11-18-8-6-13(15)7-9-18/h13-15,17H,4-12H2,1-3H3
InChIKeyZNGHGLNDWWUJCW-UHFFFAOYSA-N
MW265.44 g/mol
LogP1.93
Rot. Bonds3

About 3-(2,5-diethyl-5-methylpiperazin-1-yl)-1-azabicyclo[2.2.2]octane

3-(2,5-diethyl-5-methylpiperazin-1-yl)-1-azabicyclo[2.2.2]octane (PubChem CID 64932860) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 3-(2,5-diethyl-5-methylpiperazin-1-yl)-1-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name3-(2,5-diethyl-5-methylpiperazin-1-yl)-1-azabicyclo[2.2.2]octane
PubChem CID64932860
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name3-(2,5-diethyl-5-methylpiperazin-1-yl)-1-azabicyclo[2.2.2]octane
SMILESCCC1CNC(C)(CC)CN1C1CN2CCC1CC2
InChIInChI=1S/C16H31N3/c1-4-14-10-17-16(3,5-2)12-19(14)15-11-18-8-6-13(15)7-9-18/h13-15,17H,4-12H2,1-3H3
InChIKeyZNGHGLNDWWUJCW-UHFFFAOYSA-N
XLogP1.93
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dimethylcyclopentyl)-2,5-diethyl-5-methylpiperazine
CID 64939777
1-cyclopentyl-2,5-diethyl-5-methylpiperazine
CID 64931233
2,5-diethyl-5-methyl-1-(1-methylpiperidin-4-yl)piperazine
CID 64935587
1-cyclooctyl-2,5-diethyl-5-methylpiperazine
CID 64930575
3-(5,5-diethyl-2-propan-2-ylpiperazin-1-yl)-1-azabicyclo[2.2.2]octane
CID 64932669
2,5-diethyl-1-[(4-ethylcyclohexyl)methyl]-5-methylpiperazine
CID 64946947
1-butyl-2,5-diethyl-5-methylpiperazine
CID 64847702
1-[(5,5-dimethyloxolan-2-yl)methyl]-2,5-diethyl-5-methylpiperazine
CID 116524523
1-(2-bicyclo[2.2.1]heptanyl)-2-ethyl-5,5-dimethylpiperazine
CID 64939537
2,5-diethyl-1-[(1-ethylcyclopropyl)methyl]-5-methylpiperazine
CID 114102157
2,5-diethyl-5-methyl-1-prop-2-ynylpiperazine
CID 64933219
1-(2,3-dimethylcyclopentyl)-2-ethyl-5,5-dimethylpiperazine
CID 64940916

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-diethyl-5-methylpiperazin-1-yl)-1-azabicyclo[2.2.2]octane?
The IUPAC name of 3-(2,5-diethyl-5-methylpiperazin-1-yl)-1-azabicyclo[2.2.2]octane (CID 64932860) is 3-(2,5-diethyl-5-methylpiperazin-1-yl)-1-azabicyclo[2.2.2]octane.
What is the SMILES notation for 3-(2,5-diethyl-5-methylpiperazin-1-yl)-1-azabicyclo[2.2.2]octane?
The canonical SMILES for 3-(2,5-diethyl-5-methylpiperazin-1-yl)-1-azabicyclo[2.2.2]octane is CCC1CNC(C)(CC)CN1C1CN2CCC1CC2.
What is the InChIKey of 3-(2,5-diethyl-5-methylpiperazin-1-yl)-1-azabicyclo[2.2.2]octane?
The InChIKey is ZNGHGLNDWWUJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-4-14-10-17-16(3,5-2)12-19(14)15-11-18-8-6-13(15)7-9-18/h13-15,17H,4-12H2,1-3H3.
What are the key properties of 3-(2,5-diethyl-5-methylpiperazin-1-yl)-1-azabicyclo[2.2.2]octane?
3-(2,5-diethyl-5-methylpiperazin-1-yl)-1-azabicyclo[2.2.2]octane has a molecular weight of 265.44 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-diethyl-5-methylpiperazin-1-yl)-1-azabicyclo[2.2.2]octane is sourced from PubChem (CID 64932860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).