8-(5-phenoxy-3-pyridinyl)-4-azabicyclo[5.2.1]decane

C20H24N2O — CID 57485584

IUPAC8-(5-phenoxy-3-pyridinyl)-4-azabicyclo[5.2.1]decane
SMILESc1ccc(Oc2cncc(C3CC4CCNCCC3C4)c2)cc1
InChIInChI=1S/C20H24N2O/c1-2-4-18(5-3-1)23-19-12-17(13-22-14-19)20-11-15-6-8-21-9-7-16(20)10-15/h1-5,12-16,20-21H,6-11H2
InChIKeyRLKZTSOEPVKDGU-UHFFFAOYSA-N
MW308.42 g/mol
LogP4.37
Rot. Bonds3

About 8-(5-phenoxy-3-pyridinyl)-4-azabicyclo[5.2.1]decane

8-(5-phenoxy-3-pyridinyl)-4-azabicyclo[5.2.1]decane (PubChem CID 57485584) has the molecular formula C20H24N2O and a molecular weight of 308.42 g/mol. Its IUPAC name is 8-(5-phenoxy-3-pyridinyl)-4-azabicyclo[5.2.1]decane.

Molecular Properties

Compound Name8-(5-phenoxy-3-pyridinyl)-4-azabicyclo[5.2.1]decane
PubChem CID57485584
Molecular FormulaC20H24N2O
Molecular Weight308.42 g/mol
Exact Mass308.19
IUPAC Name8-(5-phenoxy-3-pyridinyl)-4-azabicyclo[5.2.1]decane
SMILESc1ccc(Oc2cncc(C3CC4CCNCCC3C4)c2)cc1
InChIInChI=1S/C20H24N2O/c1-2-4-18(5-3-1)23-19-12-17(13-22-14-19)20-11-15-6-8-21-9-7-16(20)10-15/h1-5,12-16,20-21H,6-11H2
InChIKeyRLKZTSOEPVKDGU-UHFFFAOYSA-N
XLogP4.37
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenoxy-5-[(E)-2-piperidin-4-ylethenyl]pyridine
CID 10016526
(2R)-3-(5-phenoxy-3-pyridinyl)spiro[1-azabicyclo[2.2.2]octane-2,3'-pyrrolidine]
CID 69341404
2-(5-phenoxy-3-pyridinyl)-5-azaspiro[3.4]octane
CID 11623305
3-(5-phenoxy-3-pyridinyl)-3,7-diazabicyclo[3.3.1]nonane
CID 22573918
(1S,4R)-2-phenylbicyclo[2.2.1]heptane
CID 10965003
9-pyridin-3-yl-4-azabicyclo[5.3.1]undecane
CID 57485548
6-(5-phenoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene
CID 57486305
3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2S)-2-(2-phenoxyethyl)cyclopropyl]pyridine
CID 59371464
3-(4-fluorophenoxy)-5-[(2S)-pyrrolidin-2-yl]pyridine
CID 58191778
3-(4-fluorophenoxy)-5-piperidin-2-ylpyridine
CID 143912807
(2R)-2-(3-phenoxyphenyl)azetidine
CID 171197153
3-[(1S,2R)-2-(phenoxymethyl)cyclopropyl]-5-phenylmethoxypyridine
CID 59371597

Frequently Asked Questions

What is the IUPAC name of 8-(5-phenoxy-3-pyridinyl)-4-azabicyclo[5.2.1]decane?
The IUPAC name of 8-(5-phenoxy-3-pyridinyl)-4-azabicyclo[5.2.1]decane (CID 57485584) is 8-(5-phenoxy-3-pyridinyl)-4-azabicyclo[5.2.1]decane.
What is the SMILES notation for 8-(5-phenoxy-3-pyridinyl)-4-azabicyclo[5.2.1]decane?
The canonical SMILES for 8-(5-phenoxy-3-pyridinyl)-4-azabicyclo[5.2.1]decane is c1ccc(Oc2cncc(C3CC4CCNCCC3C4)c2)cc1.
What is the InChIKey of 8-(5-phenoxy-3-pyridinyl)-4-azabicyclo[5.2.1]decane?
The InChIKey is RLKZTSOEPVKDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-2-4-18(5-3-1)23-19-12-17(13-22-14-19)20-11-15-6-8-21-9-7-16(20)10-15/h1-5,12-16,20-21H,6-11H2.
What are the key properties of 8-(5-phenoxy-3-pyridinyl)-4-azabicyclo[5.2.1]decane?
8-(5-phenoxy-3-pyridinyl)-4-azabicyclo[5.2.1]decane has a molecular weight of 308.42 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-phenoxy-3-pyridinyl)-4-azabicyclo[5.2.1]decane is sourced from PubChem (CID 57485584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).