3-(piperidin-4-ylmethyl)-1-azabicyclo[2.2.2]octane

C13H24N2 — CID 86262815

IUPAC3-(piperidin-4-ylmethyl)-1-azabicyclo[2.2.2]octane
SMILESC1CC(CC2CN3CCC2CC3)CCN1
InChIInChI=1S/C13H24N2/c1-5-14-6-2-11(1)9-13-10-15-7-3-12(13)4-8-15/h11-14H,1-10H2
InChIKeyYMNRSSWKBQXIIX-UHFFFAOYSA-N
MW208.35 g/mol
LogP1.72
Rot. Bonds2

About 3-(piperidin-4-ylmethyl)-1-azabicyclo[2.2.2]octane

3-(piperidin-4-ylmethyl)-1-azabicyclo[2.2.2]octane (PubChem CID 86262815) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 3-(piperidin-4-ylmethyl)-1-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name3-(piperidin-4-ylmethyl)-1-azabicyclo[2.2.2]octane
PubChem CID86262815
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name3-(piperidin-4-ylmethyl)-1-azabicyclo[2.2.2]octane
SMILESC1CC(CC2CN3CCC2CC3)CCN1
InChIInChI=1S/C13H24N2/c1-5-14-6-2-11(1)9-13-10-15-7-3-12(13)4-8-15/h11-14H,1-10H2
InChIKeyYMNRSSWKBQXIIX-UHFFFAOYSA-N
XLogP1.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(piperidin-4-ylmethyl)-1-azabicyclo[2.2.2]octane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(piperidin-4-ylmethyl)-1-azabicyclo[2.2.2]octane?
The IUPAC name of 3-(piperidin-4-ylmethyl)-1-azabicyclo[2.2.2]octane (CID 86262815) is 3-(piperidin-4-ylmethyl)-1-azabicyclo[2.2.2]octane.
What is the SMILES notation for 3-(piperidin-4-ylmethyl)-1-azabicyclo[2.2.2]octane?
The canonical SMILES for 3-(piperidin-4-ylmethyl)-1-azabicyclo[2.2.2]octane is C1CC(CC2CN3CCC2CC3)CCN1.
What is the InChIKey of 3-(piperidin-4-ylmethyl)-1-azabicyclo[2.2.2]octane?
The InChIKey is YMNRSSWKBQXIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-5-14-6-2-11(1)9-13-10-15-7-3-12(13)4-8-15/h11-14H,1-10H2.
What are the key properties of 3-(piperidin-4-ylmethyl)-1-azabicyclo[2.2.2]octane?
3-(piperidin-4-ylmethyl)-1-azabicyclo[2.2.2]octane has a molecular weight of 208.35 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidin-4-ylmethyl)-1-azabicyclo[2.2.2]octane is sourced from PubChem (CID 86262815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).