(4S,5S)-4-[[6-(4-methylphenyl)-3-pyridinyl]oxy]-1-azabicyclo[3.3.1]nonane

C20H24N2O — CID 11594725

IUPAC(4S,5S)-4-[[6-(4-methylphenyl)-3-pyridinyl]oxy]-1-azabicyclo[3.3.1]nonane
SMILESCc1ccc(-c2ccc(O[C@H]3CCN4CCC[C@H]3C4)cn2)cc1
InChIInChI=1S/C20H24N2O/c1-15-4-6-16(7-5-15)19-9-8-18(13-21-19)23-20-10-12-22-11-2-3-17(20)14-22/h4-9,13,17,20H,2-3,10-12,14H2,1H3/t17-,20-/m0/s1
InChIKeyIEENBYCBOBKNOA-PXNSSMCTSA-N
MW308.43 g/mol
LogP3.92
Rot. Bonds3

About (4S,5S)-4-[[6-(4-methylphenyl)-3-pyridinyl]oxy]-1-azabicyclo[3.3.1]nonane

(4S,5S)-4-[[6-(4-methylphenyl)-3-pyridinyl]oxy]-1-azabicyclo[3.3.1]nonane (PubChem CID 11594725) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is (4S,5S)-4-[[6-(4-methylphenyl)-3-pyridinyl]oxy]-1-azabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name(4S,5S)-4-[[6-(4-methylphenyl)-3-pyridinyl]oxy]-1-azabicyclo[3.3.1]nonane
PubChem CID11594725
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name(4S,5S)-4-[[6-(4-methylphenyl)-3-pyridinyl]oxy]-1-azabicyclo[3.3.1]nonane
SMILESCc1ccc(-c2ccc(O[C@H]3CCN4CCC[C@H]3C4)cn2)cc1
InChIInChI=1S/C20H24N2O/c1-15-4-6-16(7-5-15)19-9-8-18(13-21-19)23-20-10-12-22-11-2-3-17(20)14-22/h4-9,13,17,20H,2-3,10-12,14H2,1H3/t17-,20-/m0/s1
InChIKeyIEENBYCBOBKNOA-PXNSSMCTSA-N
XLogP3.92
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Pilavapadin
CID 118419773
Aqw-051
CID 50914822
Dianicline
CID 10176764
3-[(2S)-2-amino-3,3-diphenylpropoxy]-5-[(E)-2-(pyridin-4-yl)ethenyl]pyridine
CID 10287639
3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-5-phenyl-pyridine
CID 9840916
3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-5-(2-pyridin-4-yl-ethyl)-pyridine
CID 10469925
2-Piperdin-1-ylmethyl-5-(3-piperdin-1-yl-propoxy)-pyridine
CID 11174563
5-(3-Pyridyl)-3-(1-methyl-2-(s)-pyrrolidinylmethoxy)pyridine
CID 15480241
3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-5-phenethyl-pyridine
CID 44371959
3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-5-p-tolyl-pyridine
CID 44372094
7-(5-Propan-2-yloxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene
CID 57485797
7-(5-Phenoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene
CID 57485799

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4-[[6-(4-methylphenyl)-3-pyridinyl]oxy]-1-azabicyclo[3.3.1]nonane?
The IUPAC name of (4S,5S)-4-[[6-(4-methylphenyl)-3-pyridinyl]oxy]-1-azabicyclo[3.3.1]nonane (CID 11594725) is (4S,5S)-4-[[6-(4-methylphenyl)-3-pyridinyl]oxy]-1-azabicyclo[3.3.1]nonane.
What is the SMILES notation for (4S,5S)-4-[[6-(4-methylphenyl)-3-pyridinyl]oxy]-1-azabicyclo[3.3.1]nonane?
The canonical SMILES for (4S,5S)-4-[[6-(4-methylphenyl)-3-pyridinyl]oxy]-1-azabicyclo[3.3.1]nonane is Cc1ccc(-c2ccc(O[C@H]3CCN4CCC[C@H]3C4)cn2)cc1.
What is the InChIKey of (4S,5S)-4-[[6-(4-methylphenyl)-3-pyridinyl]oxy]-1-azabicyclo[3.3.1]nonane?
The InChIKey is IEENBYCBOBKNOA-PXNSSMCTSA-N. The full InChI is InChI=1S/C20H24N2O/c1-15-4-6-16(7-5-15)19-9-8-18(13-21-19)23-20-10-12-22-11-2-3-17(20)14-22/h4-9,13,17,20H,2-3,10-12,14H2,1H3/t17-,20-/m0/s1.
What are the key properties of (4S,5S)-4-[[6-(4-methylphenyl)-3-pyridinyl]oxy]-1-azabicyclo[3.3.1]nonane?
(4S,5S)-4-[[6-(4-methylphenyl)-3-pyridinyl]oxy]-1-azabicyclo[3.3.1]nonane has a molecular weight of 308.43 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-[[6-(4-methylphenyl)-3-pyridinyl]oxy]-1-azabicyclo[3.3.1]nonane is sourced from PubChem (CID 11594725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).