(3R)-3-[(6-naphthalen-2-yl-3-pyridinyl)oxy]-1-azabicyclo[2.2.2]octane

C22H22N2O — CID 68809563

IUPAC(3R)-3-[(6-naphthalen-2-yl-3-pyridinyl)oxy]-1-azabicyclo[2.2.2]octane
SMILESc1ccc2cc(-c3ccc(O[C@H]4CN5CCC4CC5)cn3)ccc2c1
InChIInChI=1S/C22H22N2O/c1-2-4-18-13-19(6-5-16(18)3-1)21-8-7-20(14-23-21)25-22-15-24-11-9-17(22)10-12-24/h1-8,13-14,17,22H,9-12,15H2/t22-/m0/s1
InChIKeyLPGTWZOCILAPBM-QFIPXVFZSA-N
MW330.43 g/mol
LogP4.37
Rot. Bonds3

About (3R)-3-[(6-naphthalen-2-yl-3-pyridinyl)oxy]-1-azabicyclo[2.2.2]octane

(3R)-3-[(6-naphthalen-2-yl-3-pyridinyl)oxy]-1-azabicyclo[2.2.2]octane (PubChem CID 68809563) has the molecular formula C22H22N2O and a molecular weight of 330.43 g/mol. Its IUPAC name is (3R)-3-[(6-naphthalen-2-yl-3-pyridinyl)oxy]-1-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name(3R)-3-[(6-naphthalen-2-yl-3-pyridinyl)oxy]-1-azabicyclo[2.2.2]octane
PubChem CID68809563
Molecular FormulaC22H22N2O
Molecular Weight330.43 g/mol
Exact Mass330.17
IUPAC Name(3R)-3-[(6-naphthalen-2-yl-3-pyridinyl)oxy]-1-azabicyclo[2.2.2]octane
SMILESc1ccc2cc(-c3ccc(O[C@H]4CN5CCC4CC5)cn3)ccc2c1
InChIInChI=1S/C22H22N2O/c1-2-4-18-13-19(6-5-16(18)3-1)21-8-7-20(14-23-21)25-22-15-24-11-9-17(22)10-12-24/h1-8,13-14,17,22H,9-12,15H2/t22-/m0/s1
InChIKeyLPGTWZOCILAPBM-QFIPXVFZSA-N
XLogP4.37
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3R)-3-[(6-naphthalen-2-yl-3-pyridinyl)oxy]-1-azabicyclo[2.2.2]octane with MolForge

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Related Compounds

(4S,5S)-4-[[6-(4-methylphenyl)-3-pyridinyl]oxy]-1-azabicyclo[3.3.1]nonane
CID 11594725
(3R)-3-[4-(4-iodophenyl)phenoxy]-1-azabicyclo[2.2.2]octane
CID 129388136
ethane;3-(4-methylphenoxy)-1-azabicyclo[2.2.2]octane
CID 143919466
(3S)-3-(4-phenylpyrimidin-2-yl)oxy-1-azabicyclo[2.2.2]octane
CID 68810173
3-[4-(1-azabicyclo[2.2.2]octan-3-yloxy)phenyl]-1H-indole
CID 11255616
5-[6-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]oxy]pyridazin-3-yl]-1H-indole
CID 11472679
[4-(1-azabicyclo[2.2.2]octan-3-yloxy)phenyl]-trimethylstannane
CID 21072606
5-[5-[(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)oxy]-2-pyridinyl]-1H-indole
CID 50915100
3-[4-[(E)-2-phenylethenyl]phenoxy]-1-azabicyclo[2.2.2]octane;hydrochloride
CID 18986077
2-naphthalen-2-yl-5-(10-naphthalen-2-ylanthracen-9-yl)pyridine
CID 121277468
6-naphthalen-2-ylpyridine-3-carbonitrile
CID 10537434
(3R)-3-[5-(3-methylphenyl)pyrimidin-2-yl]oxy-1-azabicyclo[2.2.2]octane
CID 68811155

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(6-naphthalen-2-yl-3-pyridinyl)oxy]-1-azabicyclo[2.2.2]octane?
The IUPAC name of (3R)-3-[(6-naphthalen-2-yl-3-pyridinyl)oxy]-1-azabicyclo[2.2.2]octane (CID 68809563) is (3R)-3-[(6-naphthalen-2-yl-3-pyridinyl)oxy]-1-azabicyclo[2.2.2]octane.
What is the SMILES notation for (3R)-3-[(6-naphthalen-2-yl-3-pyridinyl)oxy]-1-azabicyclo[2.2.2]octane?
The canonical SMILES for (3R)-3-[(6-naphthalen-2-yl-3-pyridinyl)oxy]-1-azabicyclo[2.2.2]octane is c1ccc2cc(-c3ccc(O[C@H]4CN5CCC4CC5)cn3)ccc2c1.
What is the InChIKey of (3R)-3-[(6-naphthalen-2-yl-3-pyridinyl)oxy]-1-azabicyclo[2.2.2]octane?
The InChIKey is LPGTWZOCILAPBM-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H22N2O/c1-2-4-18-13-19(6-5-16(18)3-1)21-8-7-20(14-23-21)25-22-15-24-11-9-17(22)10-12-24/h1-8,13-14,17,22H,9-12,15H2/t22-/m0/s1.
What are the key properties of (3R)-3-[(6-naphthalen-2-yl-3-pyridinyl)oxy]-1-azabicyclo[2.2.2]octane?
(3R)-3-[(6-naphthalen-2-yl-3-pyridinyl)oxy]-1-azabicyclo[2.2.2]octane has a molecular weight of 330.43 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(6-naphthalen-2-yl-3-pyridinyl)oxy]-1-azabicyclo[2.2.2]octane is sourced from PubChem (CID 68809563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).