(1S)-2-[[(6R)-1-azabicyclo[3.2.2]nonan-6-yl]oxy]-1-cyclohexyl-1-phenylethanol

C22H33NO2 — CID 163483995

IUPAC(1S)-2-[[(6R)-1-azabicyclo[3.2.2]nonan-6-yl]oxy]-1-cyclohexyl-1-phenylethanol
SMILESO[C@](CO[C@H]1CN2CCCC1CC2)(c1ccccc1)C1CCCCC1
InChIInChI=1S/C22H33NO2/c24-22(19-9-3-1-4-10-19,20-11-5-2-6-12-20)17-25-21-16-23-14-7-8-18(21)13-15-23/h1,3-4,9-10,18,20-21,24H,2,5-8,11-17H2/t18?,21-,22+/m0/s1
InChIKeyCGZCEMDRJOKSCF-LFZQMPOYSA-N
MW343.51 g/mol
LogP3.96
Rot. Bonds5

About (1S)-2-[[(6R)-1-azabicyclo[3.2.2]nonan-6-yl]oxy]-1-cyclohexyl-1-phenylethanol

(1S)-2-[[(6R)-1-azabicyclo[3.2.2]nonan-6-yl]oxy]-1-cyclohexyl-1-phenylethanol (PubChem CID 163483995) has the molecular formula C22H33NO2 and a molecular weight of 343.51 g/mol. Its IUPAC name is (1S)-2-[[(6R)-1-azabicyclo[3.2.2]nonan-6-yl]oxy]-1-cyclohexyl-1-phenylethanol.

Molecular Properties

Compound Name(1S)-2-[[(6R)-1-azabicyclo[3.2.2]nonan-6-yl]oxy]-1-cyclohexyl-1-phenylethanol
PubChem CID163483995
Molecular FormulaC22H33NO2
Molecular Weight343.51 g/mol
Exact Mass343.25
IUPAC Name(1S)-2-[[(6R)-1-azabicyclo[3.2.2]nonan-6-yl]oxy]-1-cyclohexyl-1-phenylethanol
SMILESO[C@](CO[C@H]1CN2CCCC1CC2)(c1ccccc1)C1CCCCC1
InChIInChI=1S/C22H33NO2/c24-22(19-9-3-1-4-10-19,20-11-5-2-6-12-20)17-25-21-16-23-14-7-8-18(21)13-15-23/h1,3-4,9-10,18,20-21,24H,2,5-8,11-17H2/t18?,21-,22+/m0/s1
InChIKeyCGZCEMDRJOKSCF-LFZQMPOYSA-N
XLogP3.96
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.51
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S)-2-[[(6R)-1-azabicyclo[3.2.2]nonan-6-yl]oxy]-1-cyclohexyl-1-phenylethanol with MolForge

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Related Compounds

(1R)-2-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-1-cyclopentyl-1-phenylethanol
CID 25051980
2-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-1-cyclopropyl-1-phenylethanol
CID 130387830
sodium;(3R)-1-azabicyclo[2.2.2]octan-3-ol;(1S)-2-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-1-cyclopropyl-1-phenylethanol;(1R)-2-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-1-cyclopropyl-1-phenylethanol;2-cyclopropyl-2-phenyloxirane;hydride
CID 158562588
1-cyclopentyl-2-[[(3S)-1-(phenoxymethyl)-1-azoniabicyclo[2.2.2]octan-3-yl]oxy]-1-phenylethanol
CID 122502560
1,5-dicyclohexyl-1,5-diphenylpentane-1,5-diol
CID 10717043
1-cyclohexyl-1-phenyl-3-piperidin-1-ylpropan-1-ol;iodomethane
CID 21127105
(1S)-1-cyclopentyl-1-phenyl-3-piperidin-1-ylpropan-1-ol;hydrochloride
CID 46878511
1-cyclopropyl-2-[[(3S)-1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-3-yl]oxy]-1-phenylethanol;1-cyclopropyl-2-[[(3R)-1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-3-yl]oxy]-1-phenylethanol
CID 169425228
[(3S)-1-azabicyclo[2.2.2]octan-3-yl] (2R)-2-hydroxy-2-(4-iodophenyl)-2-phenylacetate
CID 70450503
(1R)-1-cyclopentyl-1-phenylethane-1,2-diol;ethane
CID 142373793
1-azabicyclo[2.2.2]octan-3-yl(diphenyl)methanol;iodomethane
CID 44655495
3-(2,2-dimethylpropoxy)-1-azabicyclo[2.2.2]octane
CID 155249477

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[[(6R)-1-azabicyclo[3.2.2]nonan-6-yl]oxy]-1-cyclohexyl-1-phenylethanol?
The IUPAC name of (1S)-2-[[(6R)-1-azabicyclo[3.2.2]nonan-6-yl]oxy]-1-cyclohexyl-1-phenylethanol (CID 163483995) is (1S)-2-[[(6R)-1-azabicyclo[3.2.2]nonan-6-yl]oxy]-1-cyclohexyl-1-phenylethanol.
What is the SMILES notation for (1S)-2-[[(6R)-1-azabicyclo[3.2.2]nonan-6-yl]oxy]-1-cyclohexyl-1-phenylethanol?
The canonical SMILES for (1S)-2-[[(6R)-1-azabicyclo[3.2.2]nonan-6-yl]oxy]-1-cyclohexyl-1-phenylethanol is O[C@](CO[C@H]1CN2CCCC1CC2)(c1ccccc1)C1CCCCC1.
What is the InChIKey of (1S)-2-[[(6R)-1-azabicyclo[3.2.2]nonan-6-yl]oxy]-1-cyclohexyl-1-phenylethanol?
The InChIKey is CGZCEMDRJOKSCF-LFZQMPOYSA-N. The full InChI is InChI=1S/C22H33NO2/c24-22(19-9-3-1-4-10-19,20-11-5-2-6-12-20)17-25-21-16-23-14-7-8-18(21)13-15-23/h1,3-4,9-10,18,20-21,24H,2,5-8,11-17H2/t18?,21-,22+/m0/s1.
What are the key properties of (1S)-2-[[(6R)-1-azabicyclo[3.2.2]nonan-6-yl]oxy]-1-cyclohexyl-1-phenylethanol?
(1S)-2-[[(6R)-1-azabicyclo[3.2.2]nonan-6-yl]oxy]-1-cyclohexyl-1-phenylethanol has a molecular weight of 343.51 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[[(6R)-1-azabicyclo[3.2.2]nonan-6-yl]oxy]-1-cyclohexyl-1-phenylethanol is sourced from PubChem (CID 163483995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).