3-(5-piperidin-2-ylimidazol-1-yl)-1-azabicyclo[2.2.2]octane

C15H24N4 — CID 114703413

IUPAC3-(5-piperidin-2-ylimidazol-1-yl)-1-azabicyclo[2.2.2]octane
SMILESc1ncn(C2CN3CCC2CC3)c1C1CCCCN1
InChIInChI=1S/C15H24N4/c1-2-6-17-13(3-1)14-9-16-11-19(14)15-10-18-7-4-12(15)5-8-18/h9,11-13,15,17H,1-8,10H2
InChIKeyLPKASVDNKZZHHL-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.96
Rot. Bonds2

About 3-(5-piperidin-2-ylimidazol-1-yl)-1-azabicyclo[2.2.2]octane

3-(5-piperidin-2-ylimidazol-1-yl)-1-azabicyclo[2.2.2]octane (PubChem CID 114703413) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-(5-piperidin-2-ylimidazol-1-yl)-1-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name3-(5-piperidin-2-ylimidazol-1-yl)-1-azabicyclo[2.2.2]octane
PubChem CID114703413
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name3-(5-piperidin-2-ylimidazol-1-yl)-1-azabicyclo[2.2.2]octane
SMILESc1ncn(C2CN3CCC2CC3)c1C1CCCCN1
InChIInChI=1S/C15H24N4/c1-2-6-17-13(3-1)14-9-16-11-19(14)15-10-18-7-4-12(15)5-8-18/h9,11-13,15,17H,1-8,10H2
InChIKeyLPKASVDNKZZHHL-UHFFFAOYSA-N
XLogP1.96
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-piperidin-2-ylimidazol-1-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 114704870
2-[3-(2,3-dimethylcyclohexyl)imidazol-4-yl]piperidine
CID 114703362
1-cyclopentyl-5-pyrrolidin-2-ylimidazole
CID 114703551
2-[3-(2,4-dimethylcyclohexyl)imidazol-4-yl]piperidine
CID 114706226
1-(2,4-dimethylcyclohexyl)-5-pyrrolidin-2-ylimidazole
CID 114706222
2-[3-(3,4-dimethylcyclohexyl)imidazol-4-yl]piperidine
CID 114706331
2-[3-(4-ethylcyclohexyl)imidazol-4-yl]piperidine
CID 114704600
1-(2,2-dimethylcyclohexyl)-5-pyrrolidin-2-ylimidazole
CID 114706666
4-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]thiane 1-oxide
CID 104943786
1-propyl-4-(5-pyrrolidin-2-ylimidazol-1-yl)piperidine
CID 114705022
1-(2,2-dimethylcyclopentyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943398
1-methyl-3-[(5-piperidin-2-ylimidazol-1-yl)methyl]piperidine
CID 114704727

Frequently Asked Questions

What is the IUPAC name of 3-(5-piperidin-2-ylimidazol-1-yl)-1-azabicyclo[2.2.2]octane?
The IUPAC name of 3-(5-piperidin-2-ylimidazol-1-yl)-1-azabicyclo[2.2.2]octane (CID 114703413) is 3-(5-piperidin-2-ylimidazol-1-yl)-1-azabicyclo[2.2.2]octane.
What is the SMILES notation for 3-(5-piperidin-2-ylimidazol-1-yl)-1-azabicyclo[2.2.2]octane?
The canonical SMILES for 3-(5-piperidin-2-ylimidazol-1-yl)-1-azabicyclo[2.2.2]octane is c1ncn(C2CN3CCC2CC3)c1C1CCCCN1.
What is the InChIKey of 3-(5-piperidin-2-ylimidazol-1-yl)-1-azabicyclo[2.2.2]octane?
The InChIKey is LPKASVDNKZZHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-2-6-17-13(3-1)14-9-16-11-19(14)15-10-18-7-4-12(15)5-8-18/h9,11-13,15,17H,1-8,10H2.
What are the key properties of 3-(5-piperidin-2-ylimidazol-1-yl)-1-azabicyclo[2.2.2]octane?
3-(5-piperidin-2-ylimidazol-1-yl)-1-azabicyclo[2.2.2]octane has a molecular weight of 260.38 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-piperidin-2-ylimidazol-1-yl)-1-azabicyclo[2.2.2]octane is sourced from PubChem (CID 114703413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).