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

C20H29NO2 — CID 25051980

IUPAC(1R)-2-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-1-cyclopentyl-1-phenylethanol
SMILESO[C@@](CO[C@@H]1CN2CCC1CC2)(c1ccccc1)C1CCCC1
InChIInChI=1S/C20H29NO2/c22-20(18-8-4-5-9-18,17-6-2-1-3-7-17)15-23-19-14-21-12-10-16(19)11-13-21/h1-3,6-7,16,18-19,22H,4-5,8-15H2/t19-,20+/m1/s1
InChIKeyGTKRIWMDLNOSLI-UXHICEINSA-N
MW315.46 g/mol
LogP3.18
Rot. Bonds5

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

(1R)-2-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-1-cyclopentyl-1-phenylethanol (PubChem CID 25051980) has the molecular formula C20H29NO2 and a molecular weight of 315.46 g/mol. Its IUPAC name is (1R)-2-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-1-cyclopentyl-1-phenylethanol.

Molecular Properties

Compound Name(1R)-2-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-1-cyclopentyl-1-phenylethanol
PubChem CID25051980
Molecular FormulaC20H29NO2
Molecular Weight315.46 g/mol
Exact Mass315.22
IUPAC Name(1R)-2-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-1-cyclopentyl-1-phenylethanol
SMILESO[C@@](CO[C@@H]1CN2CCC1CC2)(c1ccccc1)C1CCCC1
InChIInChI=1S/C20H29NO2/c22-20(18-8-4-5-9-18,17-6-2-1-3-7-17)15-23-19-14-21-12-10-16(19)11-13-21/h1-3,6-7,16,18-19,22H,4-5,8-15H2/t19-,20+/m1/s1
InChIKeyGTKRIWMDLNOSLI-UXHICEINSA-N
XLogP3.18
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R)-2-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-1-cyclopentyl-1-phenylethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-2-[[(6R)-1-azabicyclo[3.2.2]nonan-6-yl]oxy]-1-cyclohexyl-1-phenylethanol
CID 163483995
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-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
1,5-dicyclohexyl-1,5-diphenylpentane-1,5-diol
CID 10717043
(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
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

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-1-cyclopentyl-1-phenylethanol?
The IUPAC name of (1R)-2-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-1-cyclopentyl-1-phenylethanol (CID 25051980) is (1R)-2-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-1-cyclopentyl-1-phenylethanol.
What is the SMILES notation for (1R)-2-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-1-cyclopentyl-1-phenylethanol?
The canonical SMILES for (1R)-2-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-1-cyclopentyl-1-phenylethanol is O[C@@](CO[C@@H]1CN2CCC1CC2)(c1ccccc1)C1CCCC1.
What is the InChIKey of (1R)-2-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-1-cyclopentyl-1-phenylethanol?
The InChIKey is GTKRIWMDLNOSLI-UXHICEINSA-N. The full InChI is InChI=1S/C20H29NO2/c22-20(18-8-4-5-9-18,17-6-2-1-3-7-17)15-23-19-14-21-12-10-16(19)11-13-21/h1-3,6-7,16,18-19,22H,4-5,8-15H2/t19-,20+/m1/s1.
What are the key properties of (1R)-2-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-1-cyclopentyl-1-phenylethanol?
(1R)-2-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-1-cyclopentyl-1-phenylethanol has a molecular weight of 315.46 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-1-cyclopentyl-1-phenylethanol is sourced from PubChem (CID 25051980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).