2-pyridin-3-yl-1-azabicyclo[2.2.2]octane

C12H16N2 — CID 10176454

IUPAC2-pyridin-3-yl-1-azabicyclo[2.2.2]octane
SMILESc1cncc(C2CC3CCN2CC3)c1
InChIInChI=1S/C12H16N2/c1-2-11(9-13-5-1)12-8-10-3-6-14(12)7-4-10/h1-2,5,9-10,12H,3-4,6-8H2
InChIKeyYJYPZLAZNIGNRP-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.24
Rot. Bonds1

About 2-pyridin-3-yl-1-azabicyclo[2.2.2]octane

2-pyridin-3-yl-1-azabicyclo[2.2.2]octane (PubChem CID 10176454) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-pyridin-3-yl-1-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name2-pyridin-3-yl-1-azabicyclo[2.2.2]octane
PubChem CID10176454
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name2-pyridin-3-yl-1-azabicyclo[2.2.2]octane
SMILESc1cncc(C2CC3CCN2CC3)c1
InChIInChI=1S/C12H16N2/c1-2-11(9-13-5-1)12-8-10-3-6-14(12)7-4-10/h1-2,5,9-10,12H,3-4,6-8H2
InChIKeyYJYPZLAZNIGNRP-UHFFFAOYSA-N
XLogP2.24
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Nicotine
CID 89594
Anabasine
CID 205586
3-(1-Methylpyrrolidin-2-yl)pyridine
CID 942
Pheniramine
CID 4761
(+-)-Anabasine
CID 2181
Myosmine
CID 442649
Azatadine
CID 19861
Anabaseine
CID 18985
3-Butylpyridine
CID 10874
3-Pentylpyridine
CID 238307
2-(3-Phenylpropyl)Pyridine
CID 459494
3-Phenylpyridine
CID 13886

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-1-azabicyclo[2.2.2]octane?
The IUPAC name of 2-pyridin-3-yl-1-azabicyclo[2.2.2]octane (CID 10176454) is 2-pyridin-3-yl-1-azabicyclo[2.2.2]octane.
What is the SMILES notation for 2-pyridin-3-yl-1-azabicyclo[2.2.2]octane?
The canonical SMILES for 2-pyridin-3-yl-1-azabicyclo[2.2.2]octane is c1cncc(C2CC3CCN2CC3)c1.
What is the InChIKey of 2-pyridin-3-yl-1-azabicyclo[2.2.2]octane?
The InChIKey is YJYPZLAZNIGNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-2-11(9-13-5-1)12-8-10-3-6-14(12)7-4-10/h1-2,5,9-10,12H,3-4,6-8H2.
What are the key properties of 2-pyridin-3-yl-1-azabicyclo[2.2.2]octane?
2-pyridin-3-yl-1-azabicyclo[2.2.2]octane has a molecular weight of 188.27 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-1-azabicyclo[2.2.2]octane is sourced from PubChem (CID 10176454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).