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

C18H35N3 — CID 64932669

IUPAC3-(5,5-diethyl-2-propan-2-ylpiperazin-1-yl)-1-azabicyclo[2.2.2]octane
SMILESCCC1(CC)CN(C2CN3CCC2CC3)C(C(C)C)CN1
InChIInChI=1S/C18H35N3/c1-5-18(6-2)13-21(16(11-19-18)14(3)4)17-12-20-9-7-15(17)8-10-20/h14-17,19H,5-13H2,1-4H3
InChIKeyXWPXJOZTUZDCLI-UHFFFAOYSA-N
MW293.50 g/mol
LogP2.57
Rot. Bonds4

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

3-(5,5-diethyl-2-propan-2-ylpiperazin-1-yl)-1-azabicyclo[2.2.2]octane (PubChem CID 64932669) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is 3-(5,5-diethyl-2-propan-2-ylpiperazin-1-yl)-1-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name3-(5,5-diethyl-2-propan-2-ylpiperazin-1-yl)-1-azabicyclo[2.2.2]octane
PubChem CID64932669
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC Name3-(5,5-diethyl-2-propan-2-ylpiperazin-1-yl)-1-azabicyclo[2.2.2]octane
SMILESCCC1(CC)CN(C2CN3CCC2CC3)C(C(C)C)CN1
InChIInChI=1S/C18H35N3/c1-5-18(6-2)13-21(16(11-19-18)14(3)4)17-12-20-9-7-15(17)8-10-20/h14-17,19H,5-13H2,1-4H3
InChIKeyXWPXJOZTUZDCLI-UHFFFAOYSA-N
XLogP2.57
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclobutyl-5,5-diethyl-2-propan-2-ylpiperazine
CID 64948342
1-(2,3-dimethylcyclohexyl)-5,5-diethyl-2-propan-2-ylpiperazine
CID 64931871
5,5-diethyl-1-(3-ethyl-2-methylcyclopentyl)-2-propan-2-ylpiperazine
CID 64940929
5,5-diethyl-1-(3-methylcyclohexyl)-2-propan-2-ylpiperazine
CID 64934232
3-(2,5-diethyl-5-methylpiperazin-1-yl)-1-azabicyclo[2.2.2]octane
CID 64932860
2-cyclopropyl-5,5-diethyl-1-(3-methylbutyl)piperazine
CID 64861980
5,5-diethyl-1-(5-methylhexan-2-yl)-2-propan-2-ylpiperazine
CID 64942395
5,5-diethyl-1-[(1-ethylpyrrolidin-3-yl)methyl]-2-propan-2-ylpiperazine
CID 64933993
5,5-diethyl-1-(2-methylsulfanylethyl)-2-propan-2-ylpiperazine
CID 64942397
1-(2,3-dimethylcyclohexyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine
CID 64932045
5,5-diethyl-1-(2-methoxyethyl)-2-propan-2-ylpiperazine
CID 64860048
5,5-diethyl-1-octyl-2-propan-2-ylpiperazine
CID 64860045

Frequently Asked Questions

What is the IUPAC name of 3-(5,5-diethyl-2-propan-2-ylpiperazin-1-yl)-1-azabicyclo[2.2.2]octane?
The IUPAC name of 3-(5,5-diethyl-2-propan-2-ylpiperazin-1-yl)-1-azabicyclo[2.2.2]octane (CID 64932669) is 3-(5,5-diethyl-2-propan-2-ylpiperazin-1-yl)-1-azabicyclo[2.2.2]octane.
What is the SMILES notation for 3-(5,5-diethyl-2-propan-2-ylpiperazin-1-yl)-1-azabicyclo[2.2.2]octane?
The canonical SMILES for 3-(5,5-diethyl-2-propan-2-ylpiperazin-1-yl)-1-azabicyclo[2.2.2]octane is CCC1(CC)CN(C2CN3CCC2CC3)C(C(C)C)CN1.
What is the InChIKey of 3-(5,5-diethyl-2-propan-2-ylpiperazin-1-yl)-1-azabicyclo[2.2.2]octane?
The InChIKey is XWPXJOZTUZDCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3/c1-5-18(6-2)13-21(16(11-19-18)14(3)4)17-12-20-9-7-15(17)8-10-20/h14-17,19H,5-13H2,1-4H3.
What are the key properties of 3-(5,5-diethyl-2-propan-2-ylpiperazin-1-yl)-1-azabicyclo[2.2.2]octane?
3-(5,5-diethyl-2-propan-2-ylpiperazin-1-yl)-1-azabicyclo[2.2.2]octane has a molecular weight of 293.50 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,5-diethyl-2-propan-2-ylpiperazin-1-yl)-1-azabicyclo[2.2.2]octane is sourced from PubChem (CID 64932669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).