2-(piperidin-1-ylmethyl)-1-azabicyclo[2.2.2]octane

C13H24N2 — CID 57219913

IUPAC2-(piperidin-1-ylmethyl)-1-azabicyclo[2.2.2]octane
SMILESC1CCN(CC2CC3CCN2CC3)CC1
InChIInChI=1S/C13H24N2/c1-2-6-14(7-3-1)11-13-10-12-4-8-15(13)9-5-12/h12-13H,1-11H2
InChIKeyQHPVHJGKXQRFOI-UHFFFAOYSA-N
MW208.35 g/mol
LogP1.96
Rot. Bonds2

About 2-(piperidin-1-ylmethyl)-1-azabicyclo[2.2.2]octane

2-(piperidin-1-ylmethyl)-1-azabicyclo[2.2.2]octane (PubChem CID 57219913) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 2-(piperidin-1-ylmethyl)-1-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name2-(piperidin-1-ylmethyl)-1-azabicyclo[2.2.2]octane
PubChem CID57219913
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name2-(piperidin-1-ylmethyl)-1-azabicyclo[2.2.2]octane
SMILESC1CCN(CC2CC3CCN2CC3)CC1
InChIInChI=1S/C13H24N2/c1-2-6-14(7-3-1)11-13-10-12-4-8-15(13)9-5-12/h12-13H,1-11H2
InChIKeyQHPVHJGKXQRFOI-UHFFFAOYSA-N
XLogP1.96
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Quinuclidinium, 2,3-bis(dimethylaminomethyl)-1-methyl-, iodide
CID 113785
{1-Azabicyclo[2.2.2]octan-2-yl}methanamine
CID 12737762
Cyclohexyl dabco
CID 129653628
1-(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-N,N-dimethylmethanamine
CID 72780077
1-[(5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-N,N-dimethylmethanamine
CID 134963715
1-[2-[(dimethylamino)methyl]-1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl]-N,N-dimethylmethanamine
CID 113786
2-(1-Azabicyclo[2.2.2]octan-3-yl)-1,4-diazabicyclo[2.2.2]octane
CID 18510463
2-(1-Piperidylmethyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 19108416
1-Azabicyclo[2.2.2]octane;2-methyl-1,4-diazabicyclo[2.2.2]octane
CID 19351690
2-(1-Methylpiperazin-2-yl)-1-azabicyclo[2.2.2]octane
CID 19420335
2-(1-Azabicyclo[2.2.2]octan-2-yl)-1-azabicyclo[2.2.2]octane
CID 19833051
3-(Piperazin-1-yl)-1-azabicyclo[2.2.2]octane
CID 22120228

Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-1-ylmethyl)-1-azabicyclo[2.2.2]octane?
The IUPAC name of 2-(piperidin-1-ylmethyl)-1-azabicyclo[2.2.2]octane (CID 57219913) is 2-(piperidin-1-ylmethyl)-1-azabicyclo[2.2.2]octane.
What is the SMILES notation for 2-(piperidin-1-ylmethyl)-1-azabicyclo[2.2.2]octane?
The canonical SMILES for 2-(piperidin-1-ylmethyl)-1-azabicyclo[2.2.2]octane is C1CCN(CC2CC3CCN2CC3)CC1.
What is the InChIKey of 2-(piperidin-1-ylmethyl)-1-azabicyclo[2.2.2]octane?
The InChIKey is QHPVHJGKXQRFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-2-6-14(7-3-1)11-13-10-12-4-8-15(13)9-5-12/h12-13H,1-11H2.
What are the key properties of 2-(piperidin-1-ylmethyl)-1-azabicyclo[2.2.2]octane?
2-(piperidin-1-ylmethyl)-1-azabicyclo[2.2.2]octane has a molecular weight of 208.35 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-1-ylmethyl)-1-azabicyclo[2.2.2]octane is sourced from PubChem (CID 57219913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).