(3R)-3-[[6-(4-methylphenyl)-3-pyridinyl]oxy]-1-azabicyclo[2.2.2]octane

C19H22N2O — CID 50914822

IUPAC(3R)-3-[[6-(4-methylphenyl)-3-pyridinyl]oxy]-1-azabicyclo[2.2.2]octane
SMILESCc1ccc(-c2ccc(O[C@H]3CN4CCC3CC4)cn2)cc1
InChIInChI=1S/C19H22N2O/c1-14-2-4-15(5-3-14)18-7-6-17(12-20-18)22-19-13-21-10-8-16(19)9-11-21/h2-7,12,16,19H,8-11,13H2,1H3/t19-/m0/s1
InChIKeyNPDLTEZXGWRMLQ-IBGZPJMESA-N
MW294.40 g/mol
LogP3.53
Rot. Bonds3

About (3R)-3-[[6-(4-methylphenyl)-3-pyridinyl]oxy]-1-azabicyclo[2.2.2]octane

(3R)-3-[[6-(4-methylphenyl)-3-pyridinyl]oxy]-1-azabicyclo[2.2.2]octane (PubChem CID 50914822) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is (3R)-3-[[6-(4-methylphenyl)-3-pyridinyl]oxy]-1-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name(3R)-3-[[6-(4-methylphenyl)-3-pyridinyl]oxy]-1-azabicyclo[2.2.2]octane
PubChem CID50914822
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name(3R)-3-[[6-(4-methylphenyl)-3-pyridinyl]oxy]-1-azabicyclo[2.2.2]octane
SMILESCc1ccc(-c2ccc(O[C@H]3CN4CCC3CC4)cn2)cc1
InChIInChI=1S/C19H22N2O/c1-14-2-4-15(5-3-14)18-7-6-17(12-20-18)22-19-13-21-10-8-16(19)9-11-21/h2-7,12,16,19H,8-11,13H2,1H3/t19-/m0/s1
InChIKeyNPDLTEZXGWRMLQ-IBGZPJMESA-N
XLogP3.53
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[6-(4-methylphenyl)-3-pyridinyl]oxy]-1-azabicyclo[2.2.2]octane?
The IUPAC name of (3R)-3-[[6-(4-methylphenyl)-3-pyridinyl]oxy]-1-azabicyclo[2.2.2]octane (CID 50914822) is (3R)-3-[[6-(4-methylphenyl)-3-pyridinyl]oxy]-1-azabicyclo[2.2.2]octane.
What is the SMILES notation for (3R)-3-[[6-(4-methylphenyl)-3-pyridinyl]oxy]-1-azabicyclo[2.2.2]octane?
The canonical SMILES for (3R)-3-[[6-(4-methylphenyl)-3-pyridinyl]oxy]-1-azabicyclo[2.2.2]octane is Cc1ccc(-c2ccc(O[C@H]3CN4CCC3CC4)cn2)cc1.
What is the InChIKey of (3R)-3-[[6-(4-methylphenyl)-3-pyridinyl]oxy]-1-azabicyclo[2.2.2]octane?
The InChIKey is NPDLTEZXGWRMLQ-IBGZPJMESA-N. The full InChI is InChI=1S/C19H22N2O/c1-14-2-4-15(5-3-14)18-7-6-17(12-20-18)22-19-13-21-10-8-16(19)9-11-21/h2-7,12,16,19H,8-11,13H2,1H3/t19-/m0/s1.
What are the key properties of (3R)-3-[[6-(4-methylphenyl)-3-pyridinyl]oxy]-1-azabicyclo[2.2.2]octane?
(3R)-3-[[6-(4-methylphenyl)-3-pyridinyl]oxy]-1-azabicyclo[2.2.2]octane has a molecular weight of 294.40 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[6-(4-methylphenyl)-3-pyridinyl]oxy]-1-azabicyclo[2.2.2]octane is sourced from PubChem (CID 50914822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).