2-[4-[hydroxy(diphenyl)methyl]-1-azoniabicyclo[2.2.2]octan-1-yl]ethanol

C22H28NO2+ — CID 11517307

IUPAC2-[4-[hydroxy(diphenyl)methyl]-1-azoniabicyclo[2.2.2]octan-1-yl]ethanol
SMILESOCC[N+]12CCC(C(O)(c3ccccc3)c3ccccc3)(CC1)CC2
InChIInChI=1S/C22H28NO2/c24-18-17-23-14-11-21(12-15-23,13-16-23)22(25,19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10,24-25H,11-18H2/q+1
InChIKeyPSBRYSHOOSHIOJ-UHFFFAOYSA-N
MW338.47 g/mol
LogP2.92
Rot. Bonds5

About 2-[4-[hydroxy(diphenyl)methyl]-1-azoniabicyclo[2.2.2]octan-1-yl]ethanol

2-[4-[hydroxy(diphenyl)methyl]-1-azoniabicyclo[2.2.2]octan-1-yl]ethanol (PubChem CID 11517307) has the molecular formula C22H28NO2+ and a molecular weight of 338.47 g/mol. Its IUPAC name is 2-[4-[hydroxy(diphenyl)methyl]-1-azoniabicyclo[2.2.2]octan-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[hydroxy(diphenyl)methyl]-1-azoniabicyclo[2.2.2]octan-1-yl]ethanol
PubChem CID11517307
Molecular FormulaC22H28NO2+
Molecular Weight338.47 g/mol
Exact Mass338.21
IUPAC Name2-[4-[hydroxy(diphenyl)methyl]-1-azoniabicyclo[2.2.2]octan-1-yl]ethanol
SMILESOCC[N+]12CCC(C(O)(c3ccccc3)c3ccccc3)(CC1)CC2
InChIInChI=1S/C22H28NO2/c24-18-17-23-14-11-21(12-15-23,13-16-23)22(25,19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10,24-25H,11-18H2/q+1
InChIKeyPSBRYSHOOSHIOJ-UHFFFAOYSA-N
XLogP2.92
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

Terfenadine
CID 5405
Umeclidinium bromide
CID 11519069
Pridinol
CID 4904
Diphenidol
CID 3055
Umeclidinium
CID 11519070
Diphenidol Hydrochloride
CID 66266
Glemanserin
CID 71781
Quifenadine
CID 65600
1-Azabicyclo(2.2.2)octane-3-methanol, alpha,alpha-diphenyl-, hydrochloride (1:1)
CID 115027
Sequifenadine
CID 42553
Terfenadine, (S)-
CID 6604035
(R)-(+)-Terfenadine
CID 7048803

Frequently Asked Questions

What is the IUPAC name of 2-[4-[hydroxy(diphenyl)methyl]-1-azoniabicyclo[2.2.2]octan-1-yl]ethanol?
The IUPAC name of 2-[4-[hydroxy(diphenyl)methyl]-1-azoniabicyclo[2.2.2]octan-1-yl]ethanol (CID 11517307) is 2-[4-[hydroxy(diphenyl)methyl]-1-azoniabicyclo[2.2.2]octan-1-yl]ethanol.
What is the SMILES notation for 2-[4-[hydroxy(diphenyl)methyl]-1-azoniabicyclo[2.2.2]octan-1-yl]ethanol?
The canonical SMILES for 2-[4-[hydroxy(diphenyl)methyl]-1-azoniabicyclo[2.2.2]octan-1-yl]ethanol is OCC[N+]12CCC(C(O)(c3ccccc3)c3ccccc3)(CC1)CC2.
What is the InChIKey of 2-[4-[hydroxy(diphenyl)methyl]-1-azoniabicyclo[2.2.2]octan-1-yl]ethanol?
The InChIKey is PSBRYSHOOSHIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28NO2/c24-18-17-23-14-11-21(12-15-23,13-16-23)22(25,19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10,24-25H,11-18H2/q+1.
What are the key properties of 2-[4-[hydroxy(diphenyl)methyl]-1-azoniabicyclo[2.2.2]octan-1-yl]ethanol?
2-[4-[hydroxy(diphenyl)methyl]-1-azoniabicyclo[2.2.2]octan-1-yl]ethanol has a molecular weight of 338.47 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[hydroxy(diphenyl)methyl]-1-azoniabicyclo[2.2.2]octan-1-yl]ethanol is sourced from PubChem (CID 11517307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).