3-(6-methoxy-4-methyl-3-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-ol

C15H22N2O2 — CID 171960276

IUPAC3-(6-methoxy-4-methyl-3-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-ol
SMILESCOc1cc(C)c(C2(O)CC3CCCC(C2)N3)cn1
InChIInChI=1S/C15H22N2O2/c1-10-6-14(19-2)16-9-13(10)15(18)7-11-4-3-5-12(8-15)17-11/h6,9,11-12,17-18H,3-5,7-8H2,1-2H3
InChIKeyACMKEODRMTYKSD-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.89
Rot. Bonds2

About 3-(6-methoxy-4-methyl-3-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-ol

3-(6-methoxy-4-methyl-3-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-ol (PubChem CID 171960276) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-(6-methoxy-4-methyl-3-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-ol.

Molecular Properties

Compound Name3-(6-methoxy-4-methyl-3-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-ol
PubChem CID171960276
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-(6-methoxy-4-methyl-3-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-ol
SMILESCOc1cc(C)c(C2(O)CC3CCCC(C2)N3)cn1
InChIInChI=1S/C15H22N2O2/c1-10-6-14(19-2)16-9-13(10)15(18)7-11-4-3-5-12(8-15)17-11/h6,9,11-12,17-18H,3-5,7-8H2,1-2H3
InChIKeyACMKEODRMTYKSD-UHFFFAOYSA-N
XLogP1.89
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.89
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)-9-azabicyclo[3.3.1]nonan-3-ol?
The IUPAC name of 3-(6-methoxy-4-methyl-3-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-ol (CID 171960276) is 3-(6-methoxy-4-methyl-3-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-ol.
What is the SMILES notation for 3-(6-methoxy-4-methyl-3-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-ol?
The canonical SMILES for 3-(6-methoxy-4-methyl-3-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-ol is COc1cc(C)c(C2(O)CC3CCCC(C2)N3)cn1.
What is the InChIKey of 3-(6-methoxy-4-methyl-3-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-ol?
The InChIKey is ACMKEODRMTYKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10-6-14(19-2)16-9-13(10)15(18)7-11-4-3-5-12(8-15)17-11/h6,9,11-12,17-18H,3-5,7-8H2,1-2H3.
What are the key properties of 3-(6-methoxy-4-methyl-3-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-ol?
3-(6-methoxy-4-methyl-3-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-ol has a molecular weight of 262.35 g/mol, XLogP of 1.89, 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)-9-azabicyclo[3.3.1]nonan-3-ol is sourced from PubChem (CID 171960276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).