2-(1-benzylpyridin-1-ium-4-yl)ethanol

C14H16NO+ — CID 153354325

IUPAC2-(1-benzylpyridin-1-ium-4-yl)ethanol
SMILESOCCc1cc[n+](Cc2ccccc2)cc1
InChIInChI=1S/C14H16NO/c16-11-8-13-6-9-15(10-7-13)12-14-4-2-1-3-5-14/h1-7,9-10,16H,8,11-12H2/q+1
InChIKeyNCQSGNHUGYJMFT-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.56
Rot. Bonds4

About 2-(1-benzylpyridin-1-ium-4-yl)ethanol

2-(1-benzylpyridin-1-ium-4-yl)ethanol (PubChem CID 153354325) has the molecular formula C14H16NO+ and a molecular weight of 214.29 g/mol. Its IUPAC name is 2-(1-benzylpyridin-1-ium-4-yl)ethanol.

Molecular Properties

Compound Name2-(1-benzylpyridin-1-ium-4-yl)ethanol
PubChem CID153354325
Molecular FormulaC14H16NO+
Molecular Weight214.29 g/mol
Exact Mass214.12
IUPAC Name2-(1-benzylpyridin-1-ium-4-yl)ethanol
SMILESOCCc1cc[n+](Cc2ccccc2)cc1
InChIInChI=1S/C14H16NO/c16-11-8-13-6-9-15(10-7-13)12-14-4-2-1-3-5-14/h1-7,9-10,16H,8,11-12H2/q+1
InChIKeyNCQSGNHUGYJMFT-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'}

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Related Compounds

(1-benzylpyridin-1-ium-4-yl)methanol bromide
CID 24741348
2-(1-benzylpyridin-1-ium-3-yl)ethanol
CID 18725033
tris[2-(1-benzylpyridin-1-ium-4-yl)ethyl]phosphane
CID 3075455
3-[1-[[4-[[4-(3-hydroxypropyl)pyridin-1-ium-1-yl]methyl]phenyl]methyl]pyridin-1-ium-4-yl]propan-1-ol
CID 24844758
1-benzyl-4-tetradecylpyridin-1-ium
CID 69393999
formaldehyde;2-phenylethanol
CID 143785167
1-benzylpyridin-1-ium;copper
CID 175162288
butane-2,3-diol;2-phenylethanol
CID 175116943
1-benzylpyridin-1-ium-4-amine bromide
CID 17255915
1-benzyl-4-phenylpyridin-1-ium chloride
CID 10468957
(1-benzylpyridin-1-ium-4-yl)methylphosphonic acid
CID 14787580
1-benzylpyridin-1-ium;ethane
CID 90840399

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylpyridin-1-ium-4-yl)ethanol?
The IUPAC name of 2-(1-benzylpyridin-1-ium-4-yl)ethanol (CID 153354325) is 2-(1-benzylpyridin-1-ium-4-yl)ethanol.
What is the SMILES notation for 2-(1-benzylpyridin-1-ium-4-yl)ethanol?
The canonical SMILES for 2-(1-benzylpyridin-1-ium-4-yl)ethanol is OCCc1cc[n+](Cc2ccccc2)cc1.
What is the InChIKey of 2-(1-benzylpyridin-1-ium-4-yl)ethanol?
The InChIKey is NCQSGNHUGYJMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16NO/c16-11-8-13-6-9-15(10-7-13)12-14-4-2-1-3-5-14/h1-7,9-10,16H,8,11-12H2/q+1.
What are the key properties of 2-(1-benzylpyridin-1-ium-4-yl)ethanol?
2-(1-benzylpyridin-1-ium-4-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-4-yl)ethanol is sourced from PubChem (CID 153354325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).