1-pyridin-1-ium-1-yl-4-pyridin-2-ylpiperazine

C14H17N4+ — CID 123973526

IUPAC1-pyridin-1-ium-1-yl-4-pyridin-2-ylpiperazine
SMILESc1cc[n+](N2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C14H17N4/c1-4-8-17(9-5-1)18-12-10-16(11-13-18)14-6-2-3-7-15-14/h1-9H,10-13H2/q+1
InChIKeyXMXDALKAUHGVGA-UHFFFAOYSA-N
MW241.32 g/mol
LogP0.83
Rot. Bonds2

About 1-pyridin-1-ium-1-yl-4-pyridin-2-ylpiperazine

1-pyridin-1-ium-1-yl-4-pyridin-2-ylpiperazine (PubChem CID 123973526) has the molecular formula C14H17N4+ and a molecular weight of 241.32 g/mol. Its IUPAC name is 1-pyridin-1-ium-1-yl-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-pyridin-1-ium-1-yl-4-pyridin-2-ylpiperazine
PubChem CID123973526
Molecular FormulaC14H17N4+
Molecular Weight241.32 g/mol
Exact Mass241.14
IUPAC Name1-pyridin-1-ium-1-yl-4-pyridin-2-ylpiperazine
SMILESc1cc[n+](N2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C14H17N4/c1-4-8-17(9-5-1)18-12-10-16(11-13-18)14-6-2-3-7-15-14/h1-9H,10-13H2/q+1
InChIKeyXMXDALKAUHGVGA-UHFFFAOYSA-N
XLogP0.83
TPSA23.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-fluoro-4-pyridin-2-ylpiperazine
CID 143401045
1-chloro-4-pyridin-2-ylpiperazine
CID 130280526
1-(6-methyl-2-pyridinyl)-4-pyridin-2-ylpiperazine
CID 133313241
1-methyl-4-pyridin-2-yl-1,4-diazepane
CID 11790022
methanamine;1-methyl-4-pyridin-2-ylpiperazine
CID 145148686
1-pyridin-2-ylpiperazin-4-ium
CID 3992659
3-(4-pyridin-2-ylpiperazin-1-yl)oxadiazol-3-ium-5-amine
CID 54199068
4-pyridin-2-ylpiperazine-1-carbaldehyde;hydrochloride
CID 135186029
1-methoxy-4-pyridin-2-ylpiperazine
CID 59857720
2-(4-methylidenepiperidin-1-yl)pyridine
CID 23544056
1-[5-(bromomethyl)-2-pyridinyl]-4-pyridin-2-ylpiperazine
CID 107079304
1-(4-methylphenyl)-4-pyridin-2-yl-1,4-diazepane
CID 142175555

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-1-ium-1-yl-4-pyridin-2-ylpiperazine?
The IUPAC name of 1-pyridin-1-ium-1-yl-4-pyridin-2-ylpiperazine (CID 123973526) is 1-pyridin-1-ium-1-yl-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-pyridin-1-ium-1-yl-4-pyridin-2-ylpiperazine?
The canonical SMILES for 1-pyridin-1-ium-1-yl-4-pyridin-2-ylpiperazine is c1cc[n+](N2CCN(c3ccccn3)CC2)cc1.
What is the InChIKey of 1-pyridin-1-ium-1-yl-4-pyridin-2-ylpiperazine?
The InChIKey is XMXDALKAUHGVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N4/c1-4-8-17(9-5-1)18-12-10-16(11-13-18)14-6-2-3-7-15-14/h1-9H,10-13H2/q+1.
What are the key properties of 1-pyridin-1-ium-1-yl-4-pyridin-2-ylpiperazine?
1-pyridin-1-ium-1-yl-4-pyridin-2-ylpiperazine has a molecular weight of 241.32 g/mol, XLogP of 0.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-1-ium-1-yl-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 123973526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).