3-(6-methoxy-4-methyl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol

C14H20N2O2 — CID 171960266

IUPAC3-(6-methoxy-4-methyl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCOc1cc(C)c(C2(O)CC3CCC(C2)N3)cn1
InChIInChI=1S/C14H20N2O2/c1-9-5-13(18-2)15-8-12(9)14(17)6-10-3-4-11(7-14)16-10/h5,8,10-11,16-17H,3-4,6-7H2,1-2H3
InChIKeyQBAFWSSVILMJFF-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.50
Rot. Bonds2

About 3-(6-methoxy-4-methyl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol

3-(6-methoxy-4-methyl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 171960266) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-(6-methoxy-4-methyl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name3-(6-methoxy-4-methyl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID171960266
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-(6-methoxy-4-methyl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCOc1cc(C)c(C2(O)CC3CCC(C2)N3)cn1
InChIInChI=1S/C14H20N2O2/c1-9-5-13(18-2)15-8-12(9)14(17)6-10-3-4-11(7-14)16-10/h5,8,10-11,16-17H,3-4,6-7H2,1-2H3
InChIKeyQBAFWSSVILMJFF-UHFFFAOYSA-N
XLogP1.50
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-4-methyl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 3-(6-methoxy-4-methyl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol (CID 171960266) is 3-(6-methoxy-4-methyl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 3-(6-methoxy-4-methyl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 3-(6-methoxy-4-methyl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol is COc1cc(C)c(C2(O)CC3CCC(C2)N3)cn1.
What is the InChIKey of 3-(6-methoxy-4-methyl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is QBAFWSSVILMJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9-5-13(18-2)15-8-12(9)14(17)6-10-3-4-11(7-14)16-10/h5,8,10-11,16-17H,3-4,6-7H2,1-2H3.
What are the key properties of 3-(6-methoxy-4-methyl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol?
3-(6-methoxy-4-methyl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 248.33 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-4-methyl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 171960266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).