1-butyl-4-phenylpyridin-1-ium

C15H18N+ — CID 14317875

IUPAC1-butyl-4-phenylpyridin-1-ium
SMILESCCCC[n+]1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H18N/c1-2-3-11-16-12-9-15(10-13-16)14-7-5-4-6-8-14/h4-10,12-13H,2-3,11H2,1H3/q+1
InChIKeyMAXUKZQLDUBMIK-UHFFFAOYSA-N
MW212.32 g/mol
LogP3.44
Rot. Bonds4

About 1-butyl-4-phenylpyridin-1-ium

1-butyl-4-phenylpyridin-1-ium (PubChem CID 14317875) has the molecular formula C15H18N+ and a molecular weight of 212.32 g/mol. Its IUPAC name is 1-butyl-4-phenylpyridin-1-ium.

Molecular Properties

Compound Name1-butyl-4-phenylpyridin-1-ium
PubChem CID14317875
Molecular FormulaC15H18N+
Molecular Weight212.32 g/mol
Exact Mass212.14
IUPAC Name1-butyl-4-phenylpyridin-1-ium
SMILESCCCC[n+]1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H18N/c1-2-3-11-16-12-9-15(10-13-16)14-7-5-4-6-8-14/h4-10,12-13H,2-3,11H2,1H3/q+1
InChIKeyMAXUKZQLDUBMIK-UHFFFAOYSA-N
XLogP3.44
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-4-(1-heptylpyridin-1-ium-4-yl)pyridin-1-ium
CID 102190926
1-butyl-4-(1-octadecylpyridin-1-ium-4-yl)pyridin-1-ium
CID 70694251
1-butyl-3,5-diphenylpyridin-1-ium
CID 71382796
1-pentyl-4-[1-(12-pyridin-1-ium-1-yldodecyl)pyridin-1-ium-4-yl]pyridin-1-ium
CID 102431156
1-butyl-4-(1-butylpyridin-1-ium-4-yl)pyridin-1-ium diperchlorate
CID 71360059
1-tetradecyl-4-[1-[4-[4-(1-tetradecylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]butyl]pyridin-1-ium-4-yl]pyridin-1-ium
CID 102224171
4-phenyl-1-[2-(4-phenylpyridin-1-ium-1-yl)ethyl]pyridin-1-ium
CID 3650539
1-dodecyl-4-(1-dodecylpyridin-1-ium-4-yl)pyridin-1-ium bromide
CID 54607465
1-butyl-4-pyridin-4-ylpyridin-1-ium bromide
CID 14219812
1-ethyl-4-(1-heptylpyridin-1-ium-4-yl)pyridin-1-ium
CID 68551074
1-butylpyridin-1-ium;sulfane
CID 174615974
1,1'-biphenyl;hexadecane
CID 173308514

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-phenylpyridin-1-ium?
The IUPAC name of 1-butyl-4-phenylpyridin-1-ium (CID 14317875) is 1-butyl-4-phenylpyridin-1-ium.
What is the SMILES notation for 1-butyl-4-phenylpyridin-1-ium?
The canonical SMILES for 1-butyl-4-phenylpyridin-1-ium is CCCC[n+]1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-butyl-4-phenylpyridin-1-ium?
The InChIKey is MAXUKZQLDUBMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N/c1-2-3-11-16-12-9-15(10-13-16)14-7-5-4-6-8-14/h4-10,12-13H,2-3,11H2,1H3/q+1.
What are the key properties of 1-butyl-4-phenylpyridin-1-ium?
1-butyl-4-phenylpyridin-1-ium has a molecular weight of 212.32 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-phenylpyridin-1-ium is sourced from PubChem (CID 14317875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).