2-(4-cyclohexylpyridin-1-ium-1-yl)-1-phenylethanone

C19H22NO+ — CID 139731685

IUPAC2-(4-cyclohexylpyridin-1-ium-1-yl)-1-phenylethanone
SMILESO=C(C[n+]1ccc(C2CCCCC2)cc1)c1ccccc1
InChIInChI=1S/C19H22NO/c21-19(18-9-5-2-6-10-18)15-20-13-11-17(12-14-20)16-7-3-1-4-8-16/h2,5-6,9-14,16H,1,3-4,7-8,15H2/q+1
InChIKeyFQTXPCDQNITPSA-UHFFFAOYSA-N
MW280.39 g/mol
LogP3.90
Rot. Bonds4

About 2-(4-cyclohexylpyridin-1-ium-1-yl)-1-phenylethanone

2-(4-cyclohexylpyridin-1-ium-1-yl)-1-phenylethanone (PubChem CID 139731685) has the molecular formula C19H22NO+ and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-(4-cyclohexylpyridin-1-ium-1-yl)-1-phenylethanone.

Molecular Properties

Compound Name2-(4-cyclohexylpyridin-1-ium-1-yl)-1-phenylethanone
PubChem CID139731685
Molecular FormulaC19H22NO+
Molecular Weight280.39 g/mol
Exact Mass280.17
IUPAC Name2-(4-cyclohexylpyridin-1-ium-1-yl)-1-phenylethanone
SMILESO=C(C[n+]1ccc(C2CCCCC2)cc1)c1ccccc1
InChIInChI=1S/C19H22NO/c21-19(18-9-5-2-6-10-18)15-20-13-11-17(12-14-20)16-7-3-1-4-8-16/h2,5-6,9-14,16H,1,3-4,7-8,15H2/q+1
InChIKeyFQTXPCDQNITPSA-UHFFFAOYSA-N
XLogP3.90
TPSA20.95 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(cyclohexanecarbonyl)pyridin-1-ium-1-yl]-1-phenylethanone
CID 139730836
2-[4-(cyclopentanecarbonyl)pyridin-1-ium-1-yl]-1-phenylethanone
CID 139731368
1-(4-cyclohexylphenyl)-2-(3-hydroxypyridin-1-ium-1-yl)ethanone
CID 8773659
azane;1-phenyl-2-pyridin-1-ium-1-ylethanone
CID 175247210
tris(1-phenyl-2-pyridin-1-ium-1-ylethanone);tribromide
CID 174706488
tris(4-cyclohexylphenyl)-phenacylphosphanium
CID 139734395
1-benzyl-4-cyclopentylpyridin-1-ium
CID 139730937
2-[2-(4-cyclohexylphenyl)pyridin-1-ium-1-yl]-1-phenylethanone;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
CID 139731923
2-[4-(1H-inden-1-yl)pyridin-1-ium-1-yl]-1-phenylethanone
CID 139731526
cyclohexylbenzene;hydrogen peroxide;hydrate
CID 174910153
2-(2-cyclohexylquinolin-1-ium-1-yl)-1-phenylethanone
CID 139742180
1-(4-cycloheptylphenyl)propan-1-one
CID 174630933

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexylpyridin-1-ium-1-yl)-1-phenylethanone?
The IUPAC name of 2-(4-cyclohexylpyridin-1-ium-1-yl)-1-phenylethanone (CID 139731685) is 2-(4-cyclohexylpyridin-1-ium-1-yl)-1-phenylethanone.
What is the SMILES notation for 2-(4-cyclohexylpyridin-1-ium-1-yl)-1-phenylethanone?
The canonical SMILES for 2-(4-cyclohexylpyridin-1-ium-1-yl)-1-phenylethanone is O=C(C[n+]1ccc(C2CCCCC2)cc1)c1ccccc1.
What is the InChIKey of 2-(4-cyclohexylpyridin-1-ium-1-yl)-1-phenylethanone?
The InChIKey is FQTXPCDQNITPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22NO/c21-19(18-9-5-2-6-10-18)15-20-13-11-17(12-14-20)16-7-3-1-4-8-16/h2,5-6,9-14,16H,1,3-4,7-8,15H2/q+1.
What are the key properties of 2-(4-cyclohexylpyridin-1-ium-1-yl)-1-phenylethanone?
2-(4-cyclohexylpyridin-1-ium-1-yl)-1-phenylethanone has a molecular weight of 280.39 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexylpyridin-1-ium-1-yl)-1-phenylethanone is sourced from PubChem (CID 139731685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).