2-(1-benzylpyridin-1-ium-3-yl)ethanol

C14H16NO+ — CID 18725033

IUPAC2-(1-benzylpyridin-1-ium-3-yl)ethanol
SMILESOCCc1ccc[n+](Cc2ccccc2)c1
InChIInChI=1S/C14H16NO/c16-10-8-14-7-4-9-15(12-14)11-13-5-2-1-3-6-13/h1-7,9,12,16H,8,10-11H2/q+1
InChIKeyINKGRUHGOHTKEL-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.56
Rot. Bonds4

About 2-(1-benzylpyridin-1-ium-3-yl)ethanol

2-(1-benzylpyridin-1-ium-3-yl)ethanol (PubChem CID 18725033) has the molecular formula C14H16NO+ and a molecular weight of 214.29 g/mol. Its IUPAC name is 2-(1-benzylpyridin-1-ium-3-yl)ethanol.

Molecular Properties

Compound Name2-(1-benzylpyridin-1-ium-3-yl)ethanol
PubChem CID18725033
Molecular FormulaC14H16NO+
Molecular Weight214.29 g/mol
Exact Mass214.12
IUPAC Name2-(1-benzylpyridin-1-ium-3-yl)ethanol
SMILESOCCc1ccc[n+](Cc2ccccc2)c1
InChIInChI=1S/C14H16NO/c16-10-8-14-7-4-9-15(12-14)11-13-5-2-1-3-6-13/h1-7,9,12,16H,8,10-11H2/q+1
InChIKeyINKGRUHGOHTKEL-UHFFFAOYSA-N
XLogP1.56
TPSA24.11 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2-(1-benzylpyridin-1-ium-3-yl)ethanol 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

3-(1-benzylpyridin-1-ium-3-yl)propan-1-ol chloride
CID 24787457
2-(1-benzylpyridin-1-ium-4-yl)ethanol
CID 153354325
1-benzylpyridin-1-ium;copper
CID 175162288
1-benzylpyridin-1-ium;ethane
CID 90840399
(1-benzylpyridin-1-ium-4-yl)methanol bromide
CID 24741348
2-benzylisoquinolin-2-ium bromide
CID 10968580
1-benzylpyridin-1-ium-3-sulfonate;hydron
CID 101092227
formaldehyde;2-phenylethanol
CID 143785167
(1-benzyl-3-fluoropyridin-1-ium-4-yl)methanol;hydrobromide
CID 159750358
bis(1-benzylpyridin-1-ium);tetrachlorocopper(2-)
CID 171716508
1-benzyl-N,N-diethylpyridin-1-ium-3-carboxamide
CID 788076
2-(1-benzyl-4-methylpyridin-1-ium-3-yl)oxyethanol
CID 156699587

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylpyridin-1-ium-3-yl)ethanol?
The IUPAC name of 2-(1-benzylpyridin-1-ium-3-yl)ethanol (CID 18725033) is 2-(1-benzylpyridin-1-ium-3-yl)ethanol.
What is the SMILES notation for 2-(1-benzylpyridin-1-ium-3-yl)ethanol?
The canonical SMILES for 2-(1-benzylpyridin-1-ium-3-yl)ethanol is OCCc1ccc[n+](Cc2ccccc2)c1.
What is the InChIKey of 2-(1-benzylpyridin-1-ium-3-yl)ethanol?
The InChIKey is INKGRUHGOHTKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16NO/c16-10-8-14-7-4-9-15(12-14)11-13-5-2-1-3-6-13/h1-7,9,12,16H,8,10-11H2/q+1.
What are the key properties of 2-(1-benzylpyridin-1-ium-3-yl)ethanol?
2-(1-benzylpyridin-1-ium-3-yl)ethanol has a molecular weight of 214.29 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylpyridin-1-ium-3-yl)ethanol is sourced from PubChem (CID 18725033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).