3-(5-cyclopropyl-2-methylpiperazin-1-yl)-9-methyl-9-azabicyclo[3.3.1]nonane

C17H31N3 — CID 65470919

IUPAC3-(5-cyclopropyl-2-methylpiperazin-1-yl)-9-methyl-9-azabicyclo[3.3.1]nonane
SMILESCC1CNC(C2CC2)CN1C1CC2CCCC(C1)N2C
InChIInChI=1S/C17H31N3/c1-12-10-18-17(13-6-7-13)11-20(12)16-8-14-4-3-5-15(9-16)19(14)2/h12-18H,3-11H2,1-2H3
InChIKeyGIOONILRVOOJNO-UHFFFAOYSA-N
MW277.46 g/mol
LogP2.07
Rot. Bonds2

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

3-(5-cyclopropyl-2-methylpiperazin-1-yl)-9-methyl-9-azabicyclo[3.3.1]nonane (PubChem CID 65470919) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is 3-(5-cyclopropyl-2-methylpiperazin-1-yl)-9-methyl-9-azabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name3-(5-cyclopropyl-2-methylpiperazin-1-yl)-9-methyl-9-azabicyclo[3.3.1]nonane
PubChem CID65470919
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Name3-(5-cyclopropyl-2-methylpiperazin-1-yl)-9-methyl-9-azabicyclo[3.3.1]nonane
SMILESCC1CNC(C2CC2)CN1C1CC2CCCC(C1)N2C
InChIInChI=1S/C17H31N3/c1-12-10-18-17(13-6-7-13)11-20(12)16-8-14-4-3-5-15(9-16)19(14)2/h12-18H,3-11H2,1-2H3
InChIKeyGIOONILRVOOJNO-UHFFFAOYSA-N
XLogP2.07
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclooctyl-5-cyclopropyl-2-methylpiperazine
CID 64931171
5-cyclohexyl-2-methyl-1-(3-methylcyclopentyl)piperazine
CID 114551124
(5R)-6-methyl-6-azabicyclo[3.1.1]heptane
CID 176941052
9-methyl-3-(5-methyl-2-propan-2-ylpiperazin-1-yl)-9-azabicyclo[3.3.1]nonane
CID 65471309
1-cyclopentyl-5-cyclopropyl-2-(2-methylpropyl)piperazine
CID 82936537
1-cycloheptyl-5-cyclopropyl-2-(2-methylpropyl)piperazine
CID 82936451
5-butan-2-yl-1-cyclobutyl-2-methylpiperazine
CID 64938367
2,5-dimethyl-1-(4-propan-2-ylcycloheptyl)piperazine
CID 65089178
5-cyclopropyl-2-ethyl-1-(1-methylpiperidin-3-yl)piperazine
CID 64935911
2,5-dimethyl-1-(1-methylpiperidin-3-yl)piperazine
CID 64936770
5-cyclopropyl-2-methyl-1-(3-methylsulfonylpropyl)piperazine
CID 64862396
4-(5-cyclopropyl-2-methylpiperazin-1-yl)-N,N-dimethylbutan-1-amine
CID 64946394

Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclopropyl-2-methylpiperazin-1-yl)-9-methyl-9-azabicyclo[3.3.1]nonane?
The IUPAC name of 3-(5-cyclopropyl-2-methylpiperazin-1-yl)-9-methyl-9-azabicyclo[3.3.1]nonane (CID 65470919) is 3-(5-cyclopropyl-2-methylpiperazin-1-yl)-9-methyl-9-azabicyclo[3.3.1]nonane.
What is the SMILES notation for 3-(5-cyclopropyl-2-methylpiperazin-1-yl)-9-methyl-9-azabicyclo[3.3.1]nonane?
The canonical SMILES for 3-(5-cyclopropyl-2-methylpiperazin-1-yl)-9-methyl-9-azabicyclo[3.3.1]nonane is CC1CNC(C2CC2)CN1C1CC2CCCC(C1)N2C.
What is the InChIKey of 3-(5-cyclopropyl-2-methylpiperazin-1-yl)-9-methyl-9-azabicyclo[3.3.1]nonane?
The InChIKey is GIOONILRVOOJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-12-10-18-17(13-6-7-13)11-20(12)16-8-14-4-3-5-15(9-16)19(14)2/h12-18H,3-11H2,1-2H3.
What are the key properties of 3-(5-cyclopropyl-2-methylpiperazin-1-yl)-9-methyl-9-azabicyclo[3.3.1]nonane?
3-(5-cyclopropyl-2-methylpiperazin-1-yl)-9-methyl-9-azabicyclo[3.3.1]nonane has a molecular weight of 277.46 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclopropyl-2-methylpiperazin-1-yl)-9-methyl-9-azabicyclo[3.3.1]nonane is sourced from PubChem (CID 65470919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).