1-(3-propylphenyl)pyridin-1-ium

C14H16N+ — CID 54173380

IUPAC1-(3-propylphenyl)pyridin-1-ium
SMILESCCCc1cccc(-[n+]2ccccc2)c1
InChIInChI=1S/C14H16N/c1-2-7-13-8-6-9-14(12-13)15-10-4-3-5-11-15/h3-6,8-12H,2,7H2,1H3/q+1
InChIKeyOWOLRCHROWEZBX-UHFFFAOYSA-N
MW198.29 g/mol
LogP2.92
Rot. Bonds3

About 1-(3-propylphenyl)pyridin-1-ium

1-(3-propylphenyl)pyridin-1-ium (PubChem CID 54173380) has the molecular formula C14H16N+ and a molecular weight of 198.29 g/mol. Its IUPAC name is 1-(3-propylphenyl)pyridin-1-ium.

Molecular Properties

Compound Name1-(3-propylphenyl)pyridin-1-ium
PubChem CID54173380
Molecular FormulaC14H16N+
Molecular Weight198.29 g/mol
Exact Mass198.13
IUPAC Name1-(3-propylphenyl)pyridin-1-ium
SMILESCCCc1cccc(-[n+]2ccccc2)c1
InChIInChI=1S/C14H16N/c1-2-7-13-8-6-9-14(12-13)15-10-4-3-5-11-15/h3-6,8-12H,2,7H2,1H3/q+1
InChIKeyOWOLRCHROWEZBX-UHFFFAOYSA-N
XLogP2.92
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 52.92
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

(3-pyridin-1-ium-1-ylphenyl)methanamine
CID 121232150
phenol;3-propylphenol
CID 66960022
1-phenyl-3-propylbenzene
CID 4110465
1-(4-ethylphenyl)pyridin-1-ium
CID 15047343
1-phenyl-4-[1-[3-[[3-[4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenyl]methyl]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium
CID 59839156
1-(3-benzylphenyl)-4-[1-(3-benzylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium
CID 122471075
propylbenzene tetraiodide
CID 23321652
propylbenzene;hydrobromide
CID 70024036
ethane;ethylbenzene;propylbenzene
CID 153343160
ethane;ethylbenzene;propylbenzene
CID 144852867
potassium;hydride;propylbenzene
CID 174749122
1-(3-bromopropyl)-3-propylbenzene
CID 116545899

Frequently Asked Questions

What is the IUPAC name of 1-(3-propylphenyl)pyridin-1-ium?
The IUPAC name of 1-(3-propylphenyl)pyridin-1-ium (CID 54173380) is 1-(3-propylphenyl)pyridin-1-ium.
What is the SMILES notation for 1-(3-propylphenyl)pyridin-1-ium?
The canonical SMILES for 1-(3-propylphenyl)pyridin-1-ium is CCCc1cccc(-[n+]2ccccc2)c1.
What is the InChIKey of 1-(3-propylphenyl)pyridin-1-ium?
The InChIKey is OWOLRCHROWEZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N/c1-2-7-13-8-6-9-14(12-13)15-10-4-3-5-11-15/h3-6,8-12H,2,7H2,1H3/q+1.
What are the key properties of 1-(3-propylphenyl)pyridin-1-ium?
1-(3-propylphenyl)pyridin-1-ium has a molecular weight of 198.29 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propylphenyl)pyridin-1-ium is sourced from PubChem (CID 54173380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).