3-(3,3-diethylpiperazin-1-yl)-9-methyl-9-azabicyclo[3.3.1]nonane

C17H33N3 — CID 65471123

IUPAC3-(3,3-diethylpiperazin-1-yl)-9-methyl-9-azabicyclo[3.3.1]nonane
SMILESCCC1(CC)CN(C2CC3CCCC(C2)N3C)CCN1
InChIInChI=1S/C17H33N3/c1-4-17(5-2)13-20(10-9-18-17)16-11-14-7-6-8-15(12-16)19(14)3/h14-16,18H,4-13H2,1-3H3
InChIKeyPPBTWQAHZSOWGX-UHFFFAOYSA-N
MW279.47 g/mol
LogP2.47
Rot. Bonds3

About 3-(3,3-diethylpiperazin-1-yl)-9-methyl-9-azabicyclo[3.3.1]nonane

3-(3,3-diethylpiperazin-1-yl)-9-methyl-9-azabicyclo[3.3.1]nonane (PubChem CID 65471123) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is 3-(3,3-diethylpiperazin-1-yl)-9-methyl-9-azabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name3-(3,3-diethylpiperazin-1-yl)-9-methyl-9-azabicyclo[3.3.1]nonane
PubChem CID65471123
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name3-(3,3-diethylpiperazin-1-yl)-9-methyl-9-azabicyclo[3.3.1]nonane
SMILESCCC1(CC)CN(C2CC3CCCC(C2)N3C)CCN1
InChIInChI=1S/C17H33N3/c1-4-17(5-2)13-20(10-9-18-17)16-11-14-7-6-8-15(12-16)19(14)3/h14-16,18H,4-13H2,1-3H3
InChIKeyPPBTWQAHZSOWGX-UHFFFAOYSA-N
XLogP2.47
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dimethylcyclohexyl)-3,3-diethyl-1,4-diazepane
CID 64951233
1-(2,3-dimethylcyclohexyl)-3,3-diethylpiperazine
CID 64924229
3,3-diethyl-1-(3-methoxycyclobutyl)-1,4-diazepane
CID 114120464
9-methyl-3-(5-methyl-1,4-diazepan-1-yl)-9-azabicyclo[3.3.1]nonane
CID 65472621
(5R)-6-methyl-6-azabicyclo[3.1.1]heptane
CID 176941052
3,3-diethyl-1-(2-methylcyclopentyl)-1,4-diazepane
CID 64949999
1-cyclobutyl-5,5-diethyl-2-propan-2-ylpiperazine
CID 64948342
3,3-diethyl-1-(3-methylbutyl)piperazine
CID 64833456
3,3-diethyl-1-pentan-3-ylpiperazine
CID 64925599
1-(3,3-diethyl-1,4-diazepan-1-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 64944847
5,5-diethyl-1-(3-methylcyclohexyl)-2-propan-2-ylpiperazine
CID 64934232
1-(1,3-dimethylpiperidin-4-yl)-3,3-diethyl-1,4-diazepane
CID 114506159

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-diethylpiperazin-1-yl)-9-methyl-9-azabicyclo[3.3.1]nonane?
The IUPAC name of 3-(3,3-diethylpiperazin-1-yl)-9-methyl-9-azabicyclo[3.3.1]nonane (CID 65471123) is 3-(3,3-diethylpiperazin-1-yl)-9-methyl-9-azabicyclo[3.3.1]nonane.
What is the SMILES notation for 3-(3,3-diethylpiperazin-1-yl)-9-methyl-9-azabicyclo[3.3.1]nonane?
The canonical SMILES for 3-(3,3-diethylpiperazin-1-yl)-9-methyl-9-azabicyclo[3.3.1]nonane is CCC1(CC)CN(C2CC3CCCC(C2)N3C)CCN1.
What is the InChIKey of 3-(3,3-diethylpiperazin-1-yl)-9-methyl-9-azabicyclo[3.3.1]nonane?
The InChIKey is PPBTWQAHZSOWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-4-17(5-2)13-20(10-9-18-17)16-11-14-7-6-8-15(12-16)19(14)3/h14-16,18H,4-13H2,1-3H3.
What are the key properties of 3-(3,3-diethylpiperazin-1-yl)-9-methyl-9-azabicyclo[3.3.1]nonane?
3-(3,3-diethylpiperazin-1-yl)-9-methyl-9-azabicyclo[3.3.1]nonane has a molecular weight of 279.47 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-diethylpiperazin-1-yl)-9-methyl-9-azabicyclo[3.3.1]nonane is sourced from PubChem (CID 65471123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).