9-methyl-3-(5-methyl-2-propan-2-ylpiperazin-1-yl)-9-azabicyclo[3.3.1]nonane

C17H33N3 — CID 65471309

IUPAC9-methyl-3-(5-methyl-2-propan-2-ylpiperazin-1-yl)-9-azabicyclo[3.3.1]nonane
SMILESCC1CN(C2CC3CCCC(C2)N3C)C(C(C)C)CN1
InChIInChI=1S/C17H33N3/c1-12(2)17-10-18-13(3)11-20(17)16-8-14-6-5-7-15(9-16)19(14)4/h12-18H,5-11H2,1-4H3
InChIKeyNUEIMASYRITXNE-UHFFFAOYSA-N
MW279.47 g/mol
LogP2.32
Rot. Bonds2

About 9-methyl-3-(5-methyl-2-propan-2-ylpiperazin-1-yl)-9-azabicyclo[3.3.1]nonane

9-methyl-3-(5-methyl-2-propan-2-ylpiperazin-1-yl)-9-azabicyclo[3.3.1]nonane (PubChem CID 65471309) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is 9-methyl-3-(5-methyl-2-propan-2-ylpiperazin-1-yl)-9-azabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name9-methyl-3-(5-methyl-2-propan-2-ylpiperazin-1-yl)-9-azabicyclo[3.3.1]nonane
PubChem CID65471309
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name9-methyl-3-(5-methyl-2-propan-2-ylpiperazin-1-yl)-9-azabicyclo[3.3.1]nonane
SMILESCC1CN(C2CC3CCCC(C2)N3C)C(C(C)C)CN1
InChIInChI=1S/C17H33N3/c1-12(2)17-10-18-13(3)11-20(17)16-8-14-6-5-7-15(9-16)19(14)4/h12-18H,5-11H2,1-4H3
InChIKeyNUEIMASYRITXNE-UHFFFAOYSA-N
XLogP2.32
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 9-methyl-3-(5-methyl-2-propan-2-ylpiperazin-1-yl)-9-azabicyclo[3.3.1]nonane with MolForge

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Related Compounds

1-cyclopentyl-5-methyl-2-propan-2-ylpiperazine
CID 64954285
5-methyl-1-(oxan-3-yl)-2-propan-2-ylpiperazine
CID 64937820
3-(5-methyl-2-propan-2-ylpiperazin-1-yl)thiane 1,1-dioxide
CID 64938017
5-methyl-1-(4-methylsulfanylcyclohexyl)-2-propan-2-ylpiperazine
CID 114122816
1-(2,4-dimethylcyclohexyl)-5-methyl-2-propan-2-ylpiperazine
CID 64937246
1-cycloheptyl-2,5-di(propan-2-yl)piperazine
CID 64936529
2,5-dimethyl-1-(4-propan-2-ylcycloheptyl)piperazine
CID 65089178
(5R)-6-methyl-6-azabicyclo[3.1.1]heptane
CID 176941052
3-(5-cyclopropyl-2-methylpiperazin-1-yl)-9-methyl-9-azabicyclo[3.3.1]nonane
CID 65470919
1-(cyclobutylmethyl)-5-methyl-2-propan-2-ylpiperazine
CID 64937495
1-cyclopropyl-2,5-di(propan-2-yl)piperazine
CID 64954463
9-methyl-3-(5-methyl-1,4-diazepan-1-yl)-9-azabicyclo[3.3.1]nonane
CID 65472621

Frequently Asked Questions

What is the IUPAC name of 9-methyl-3-(5-methyl-2-propan-2-ylpiperazin-1-yl)-9-azabicyclo[3.3.1]nonane?
The IUPAC name of 9-methyl-3-(5-methyl-2-propan-2-ylpiperazin-1-yl)-9-azabicyclo[3.3.1]nonane (CID 65471309) is 9-methyl-3-(5-methyl-2-propan-2-ylpiperazin-1-yl)-9-azabicyclo[3.3.1]nonane.
What is the SMILES notation for 9-methyl-3-(5-methyl-2-propan-2-ylpiperazin-1-yl)-9-azabicyclo[3.3.1]nonane?
The canonical SMILES for 9-methyl-3-(5-methyl-2-propan-2-ylpiperazin-1-yl)-9-azabicyclo[3.3.1]nonane is CC1CN(C2CC3CCCC(C2)N3C)C(C(C)C)CN1.
What is the InChIKey of 9-methyl-3-(5-methyl-2-propan-2-ylpiperazin-1-yl)-9-azabicyclo[3.3.1]nonane?
The InChIKey is NUEIMASYRITXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-12(2)17-10-18-13(3)11-20(17)16-8-14-6-5-7-15(9-16)19(14)4/h12-18H,5-11H2,1-4H3.
What are the key properties of 9-methyl-3-(5-methyl-2-propan-2-ylpiperazin-1-yl)-9-azabicyclo[3.3.1]nonane?
9-methyl-3-(5-methyl-2-propan-2-ylpiperazin-1-yl)-9-azabicyclo[3.3.1]nonane has a molecular weight of 279.47 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3-(5-methyl-2-propan-2-ylpiperazin-1-yl)-9-azabicyclo[3.3.1]nonane is sourced from PubChem (CID 65471309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).