(1S,5R)-3-[(6-phenyl-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octane

C18H20N2O — CID 53323531

IUPAC(1S,5R)-3-[(6-phenyl-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octane
SMILESc1ccc(-c2cccc(OC3C[C@H]4CC[C@@H](C3)N4)n2)cc1
InChIInChI=1S/C18H20N2O/c1-2-5-13(6-3-1)17-7-4-8-18(20-17)21-16-11-14-9-10-15(12-16)19-14/h1-8,14-16,19H,9-12H2/t14-,15+,16?
InChIKeyOTYQXOHDRTWMJY-XYPWUTKMSA-N
MW280.37 g/mol
LogP3.41
Rot. Bonds3

About (1S,5R)-3-[(6-phenyl-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octane

(1S,5R)-3-[(6-phenyl-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octane (PubChem CID 53323531) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is (1S,5R)-3-[(6-phenyl-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1S,5R)-3-[(6-phenyl-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octane
PubChem CID53323531
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name(1S,5R)-3-[(6-phenyl-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octane
SMILESc1ccc(-c2cccc(OC3C[C@H]4CC[C@@H](C3)N4)n2)cc1
InChIInChI=1S/C18H20N2O/c1-2-5-13(6-3-1)17-7-4-8-18(20-17)21-16-11-14-9-10-15(12-16)19-14/h1-8,14-16,19H,9-12H2/t14-,15+,16?
InChIKeyOTYQXOHDRTWMJY-XYPWUTKMSA-N
XLogP3.41
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-3-[(6-phenyl-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octane?
The IUPAC name of (1S,5R)-3-[(6-phenyl-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octane (CID 53323531) is (1S,5R)-3-[(6-phenyl-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for (1S,5R)-3-[(6-phenyl-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octane?
The canonical SMILES for (1S,5R)-3-[(6-phenyl-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octane is c1ccc(-c2cccc(OC3C[C@H]4CC[C@@H](C3)N4)n2)cc1.
What is the InChIKey of (1S,5R)-3-[(6-phenyl-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octane?
The InChIKey is OTYQXOHDRTWMJY-XYPWUTKMSA-N. The full InChI is InChI=1S/C18H20N2O/c1-2-5-13(6-3-1)17-7-4-8-18(20-17)21-16-11-14-9-10-15(12-16)19-14/h1-8,14-16,19H,9-12H2/t14-,15+,16?.
What are the key properties of (1S,5R)-3-[(6-phenyl-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octane?
(1S,5R)-3-[(6-phenyl-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octane has a molecular weight of 280.37 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-3-[(6-phenyl-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 53323531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).