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

C12H22N2 — CID 24845960

IUPAC(3R)-3-piperidin-2-yl-1-azabicyclo[2.2.2]octane
SMILESC1CCC([C@H]2CN3CCC2CC3)NC1
InChIInChI=1S/C12H22N2/c1-2-6-13-12(3-1)11-9-14-7-4-10(11)5-8-14/h10-13H,1-9H2/t11-,12?/m0/s1
InChIKeyNJVCPTJUEWXISA-PXYINDEMSA-N
MW194.32 g/mol
LogP1.47
Rot. Bonds1

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

(3R)-3-piperidin-2-yl-1-azabicyclo[2.2.2]octane (PubChem CID 24845960) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is (3R)-3-piperidin-2-yl-1-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name(3R)-3-piperidin-2-yl-1-azabicyclo[2.2.2]octane
PubChem CID24845960
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name(3R)-3-piperidin-2-yl-1-azabicyclo[2.2.2]octane
SMILESC1CCC([C@H]2CN3CCC2CC3)NC1
InChIInChI=1S/C12H22N2/c1-2-6-13-12(3-1)11-9-14-7-4-10(11)5-8-14/h10-13H,1-9H2/t11-,12?/m0/s1
InChIKeyNJVCPTJUEWXISA-PXYINDEMSA-N
XLogP1.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-piperidin-2-yl-1-azabicyclo[2.2.2]octane?
The IUPAC name of (3R)-3-piperidin-2-yl-1-azabicyclo[2.2.2]octane (CID 24845960) is (3R)-3-piperidin-2-yl-1-azabicyclo[2.2.2]octane.
What is the SMILES notation for (3R)-3-piperidin-2-yl-1-azabicyclo[2.2.2]octane?
The canonical SMILES for (3R)-3-piperidin-2-yl-1-azabicyclo[2.2.2]octane is C1CCC([C@H]2CN3CCC2CC3)NC1.
What is the InChIKey of (3R)-3-piperidin-2-yl-1-azabicyclo[2.2.2]octane?
The InChIKey is NJVCPTJUEWXISA-PXYINDEMSA-N. The full InChI is InChI=1S/C12H22N2/c1-2-6-13-12(3-1)11-9-14-7-4-10(11)5-8-14/h10-13H,1-9H2/t11-,12?/m0/s1.
What are the key properties of (3R)-3-piperidin-2-yl-1-azabicyclo[2.2.2]octane?
(3R)-3-piperidin-2-yl-1-azabicyclo[2.2.2]octane has a molecular weight of 194.32 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-piperidin-2-yl-1-azabicyclo[2.2.2]octane is sourced from PubChem (CID 24845960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).