3-(4-methyl-2-pyridinyl)-8-oxa-3-azabicyclo[3.2.1]octane

C12H16N2O — CID 164926889

IUPAC3-(4-methyl-2-pyridinyl)-8-oxa-3-azabicyclo[3.2.1]octane
SMILESCc1ccnc(N2CC3CCC(C2)O3)c1
InChIInChI=1S/C12H16N2O/c1-9-4-5-13-12(6-9)14-7-10-2-3-11(8-14)15-10/h4-6,10-11H,2-3,7-8H2,1H3
InChIKeyAGVLGWNYZUEPAE-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.76
Rot. Bonds1

About 3-(4-methyl-2-pyridinyl)-8-oxa-3-azabicyclo[3.2.1]octane

3-(4-methyl-2-pyridinyl)-8-oxa-3-azabicyclo[3.2.1]octane (PubChem CID 164926889) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 3-(4-methyl-2-pyridinyl)-8-oxa-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-(4-methyl-2-pyridinyl)-8-oxa-3-azabicyclo[3.2.1]octane
PubChem CID164926889
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name3-(4-methyl-2-pyridinyl)-8-oxa-3-azabicyclo[3.2.1]octane
SMILESCc1ccnc(N2CC3CCC(C2)O3)c1
InChIInChI=1S/C12H16N2O/c1-9-4-5-13-12(6-9)14-7-10-2-3-11(8-14)15-10/h4-6,10-11H,2-3,7-8H2,1H3
InChIKeyAGVLGWNYZUEPAE-UHFFFAOYSA-N
XLogP1.76
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-2-pyridinyl)-8-oxa-3-azabicyclo[3.2.1]octane?
The IUPAC name of 3-(4-methyl-2-pyridinyl)-8-oxa-3-azabicyclo[3.2.1]octane (CID 164926889) is 3-(4-methyl-2-pyridinyl)-8-oxa-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-(4-methyl-2-pyridinyl)-8-oxa-3-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-(4-methyl-2-pyridinyl)-8-oxa-3-azabicyclo[3.2.1]octane is Cc1ccnc(N2CC3CCC(C2)O3)c1.
What is the InChIKey of 3-(4-methyl-2-pyridinyl)-8-oxa-3-azabicyclo[3.2.1]octane?
The InChIKey is AGVLGWNYZUEPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-9-4-5-13-12(6-9)14-7-10-2-3-11(8-14)15-10/h4-6,10-11H,2-3,7-8H2,1H3.
What are the key properties of 3-(4-methyl-2-pyridinyl)-8-oxa-3-azabicyclo[3.2.1]octane?
3-(4-methyl-2-pyridinyl)-8-oxa-3-azabicyclo[3.2.1]octane has a molecular weight of 204.27 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-2-pyridinyl)-8-oxa-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 164926889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).