2-[(2S,8R)-1,2,3,4,5,6,7,8-octahydropyrrolizin-4-ium-2-yl]-1,1-diphenylethanol

C21H26NO+ — CID 23245268

IUPAC2-[(2S,8R)-1,2,3,4,5,6,7,8-octahydropyrrolizin-4-ium-2-yl]-1,1-diphenylethanol
SMILESOC(C[C@@H]1C[C@H]2CCC[NH+]2C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H25NO/c23-21(18-8-3-1-4-9-18,19-10-5-2-6-11-19)15-17-14-20-12-7-13-22(20)16-17/h1-6,8-11,17,20,23H,7,12-16H2/p+1/t17-,20+/m0/s1
InChIKeyCPWXJGPCILRUJO-FXAWDEMLSA-O
MW308.45 g/mol
LogP2.38
Rot. Bonds4

About 2-[(2S,8R)-1,2,3,4,5,6,7,8-octahydropyrrolizin-4-ium-2-yl]-1,1-diphenylethanol

2-[(2S,8R)-1,2,3,4,5,6,7,8-octahydropyrrolizin-4-ium-2-yl]-1,1-diphenylethanol (PubChem CID 23245268) has the molecular formula C21H26NO+ and a molecular weight of 308.45 g/mol. Its IUPAC name is 2-[(2S,8R)-1,2,3,4,5,6,7,8-octahydropyrrolizin-4-ium-2-yl]-1,1-diphenylethanol.

Molecular Properties

Compound Name2-[(2S,8R)-1,2,3,4,5,6,7,8-octahydropyrrolizin-4-ium-2-yl]-1,1-diphenylethanol
PubChem CID23245268
Molecular FormulaC21H26NO+
Molecular Weight308.45 g/mol
Exact Mass308.20
IUPAC Name2-[(2S,8R)-1,2,3,4,5,6,7,8-octahydropyrrolizin-4-ium-2-yl]-1,1-diphenylethanol
SMILESOC(C[C@@H]1C[C@H]2CCC[NH+]2C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H25NO/c23-21(18-8-3-1-4-9-18,19-10-5-2-6-11-19)15-17-14-20-12-7-13-22(20)16-17/h1-6,8-11,17,20,23H,7,12-16H2/p+1/t17-,20+/m0/s1
InChIKeyCPWXJGPCILRUJO-FXAWDEMLSA-O
XLogP2.38
TPSA24.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 2-[(2S,8R)-1,2,3,4,5,6,7,8-octahydropyrrolizin-4-ium-2-yl]-1,1-diphenylethanol 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

2-cyclohexyl-1,1-diphenylethanol
CID 177391647
2-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1,1-diphenylethanol
CID 45271007
2-(1-methylpiperidin-4-yl)-1,1-diphenylethanol;hydrochloride
CID 54609205
1,1-diphenyl-2-[(2R)-pyrrolidin-2-yl]ethanol
CID 89497125
[(3S)-1-(1-benzylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]methanol
CID 7047277
1,1-diphenyl-2-(1-propan-2-ylpyrrolidin-3-yl)ethanol;hydrochloride
CID 54604951
[(2S,7R,8aS)-2-phenyl-2,3,4,5,6,7,8,8a-octahydro-1H-indolizin-4-ium-7-yl]-diphenylmethanol
CID 7385508
1-cyclopentyl-2-phenylpentan-2-ol
CID 65147061
1,1-diphenyl-2-(2,3,4,5-tetramethylcyclopentyl)ethanol
CID 59952409
2-[[(1S,2S)-2-[(2-hydroxy-2,2-diphenylethyl)-methylamino]cyclohexyl]-methylamino]-1,1-diphenylethanol
CID 101490678
[(2S)-1-butylpyrrolidin-1-ium-2-yl]-diphenylmethanol
CID 7013704
(3R)-1-[1-(2-phenylethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-ol
CID 7047298

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,8R)-1,2,3,4,5,6,7,8-octahydropyrrolizin-4-ium-2-yl]-1,1-diphenylethanol?
The IUPAC name of 2-[(2S,8R)-1,2,3,4,5,6,7,8-octahydropyrrolizin-4-ium-2-yl]-1,1-diphenylethanol (CID 23245268) is 2-[(2S,8R)-1,2,3,4,5,6,7,8-octahydropyrrolizin-4-ium-2-yl]-1,1-diphenylethanol.
What is the SMILES notation for 2-[(2S,8R)-1,2,3,4,5,6,7,8-octahydropyrrolizin-4-ium-2-yl]-1,1-diphenylethanol?
The canonical SMILES for 2-[(2S,8R)-1,2,3,4,5,6,7,8-octahydropyrrolizin-4-ium-2-yl]-1,1-diphenylethanol is OC(C[C@@H]1C[C@H]2CCC[NH+]2C1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[(2S,8R)-1,2,3,4,5,6,7,8-octahydropyrrolizin-4-ium-2-yl]-1,1-diphenylethanol?
The InChIKey is CPWXJGPCILRUJO-FXAWDEMLSA-O. The full InChI is InChI=1S/C21H25NO/c23-21(18-8-3-1-4-9-18,19-10-5-2-6-11-19)15-17-14-20-12-7-13-22(20)16-17/h1-6,8-11,17,20,23H,7,12-16H2/p+1/t17-,20+/m0/s1.
What are the key properties of 2-[(2S,8R)-1,2,3,4,5,6,7,8-octahydropyrrolizin-4-ium-2-yl]-1,1-diphenylethanol?
2-[(2S,8R)-1,2,3,4,5,6,7,8-octahydropyrrolizin-4-ium-2-yl]-1,1-diphenylethanol has a molecular weight of 308.45 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,8R)-1,2,3,4,5,6,7,8-octahydropyrrolizin-4-ium-2-yl]-1,1-diphenylethanol is sourced from PubChem (CID 23245268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).