2-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-1-cyclopropyl-1-phenylethanol

C18H25NO2 — CID 130387830

IUPAC2-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-1-cyclopropyl-1-phenylethanol
SMILESOC(CO[C@H]1CN2CCC1CC2)(c1ccccc1)C1CC1
InChIInChI=1S/C18H25NO2/c20-18(16-6-7-16,15-4-2-1-3-5-15)13-21-17-12-19-10-8-14(17)9-11-19/h1-5,14,16-17,20H,6-13H2/t17-,18?/m0/s1
InChIKeySGWALAKNEKTNQH-ZENAZSQFSA-N
MW287.40 g/mol
LogP2.39
Rot. Bonds5

About 2-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-1-cyclopropyl-1-phenylethanol

2-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-1-cyclopropyl-1-phenylethanol (PubChem CID 130387830) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 2-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-1-cyclopropyl-1-phenylethanol.

Molecular Properties

Compound Name2-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-1-cyclopropyl-1-phenylethanol
PubChem CID130387830
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name2-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-1-cyclopropyl-1-phenylethanol
SMILESOC(CO[C@H]1CN2CCC1CC2)(c1ccccc1)C1CC1
InChIInChI=1S/C18H25NO2/c20-18(16-6-7-16,15-4-2-1-3-5-15)13-21-17-12-19-10-8-14(17)9-11-19/h1-5,14,16-17,20H,6-13H2/t17-,18?/m0/s1
InChIKeySGWALAKNEKTNQH-ZENAZSQFSA-N
XLogP2.39
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-1-cyclopropyl-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
(1S)-2-[[(6R)-1-azabicyclo[3.2.2]nonan-6-yl]oxy]-1-cyclohexyl-1-phenylethanol
CID 163483995
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-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
1-cyclopentyl-2-[[(3S)-1-(phenoxymethyl)-1-azoniabicyclo[2.2.2]octan-3-yl]oxy]-1-phenylethanol
CID 122502560
[(3S)-1-azabicyclo[2.2.2]octan-3-yl] (2R)-2-hydroxy-2-(4-iodophenyl)-2-phenylacetate
CID 70450503
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
[(3S)-1-azabicyclo[2.2.2]octan-3-yl] (2R)-2-[4-(fluoromethyl)phenyl]-2-hydroxy-2-phenylacetate
CID 10317009
1-azabicyclo[2.2.2]octan-3-yl 2-(4-fluorophenyl)-2-hydroxy-2-phenylacetate
CID 12789209
1-azabicyclo[2.2.2]octan-3-yl 2-(4-aminophenyl)-2-hydroxy-2-phenylacetate
CID 13282599
2-amino-1-cyclopropyl-1-phenylethanol
CID 71683828

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-1-cyclopropyl-1-phenylethanol?
The IUPAC name of 2-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-1-cyclopropyl-1-phenylethanol (CID 130387830) is 2-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-1-cyclopropyl-1-phenylethanol.
What is the SMILES notation for 2-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-1-cyclopropyl-1-phenylethanol?
The canonical SMILES for 2-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-1-cyclopropyl-1-phenylethanol is OC(CO[C@H]1CN2CCC1CC2)(c1ccccc1)C1CC1.
What is the InChIKey of 2-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-1-cyclopropyl-1-phenylethanol?
The InChIKey is SGWALAKNEKTNQH-ZENAZSQFSA-N. The full InChI is InChI=1S/C18H25NO2/c20-18(16-6-7-16,15-4-2-1-3-5-15)13-21-17-12-19-10-8-14(17)9-11-19/h1-5,14,16-17,20H,6-13H2/t17-,18?/m0/s1.
What are the key properties of 2-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-1-cyclopropyl-1-phenylethanol?
2-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-1-cyclopropyl-1-phenylethanol has a molecular weight of 287.40 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-1-cyclopropyl-1-phenylethanol is sourced from PubChem (CID 130387830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).