actinium;1-(6-fluoro-2-pyridinyl)piperazine;1-(6-fluoro-2-pyridinyl)piperazin-4-ide

C18H23AcF2N6- — CID 158169640

IUPACactinium;1-(6-fluoro-2-pyridinyl)piperazine;1-(6-fluoro-2-pyridinyl)piperazin-4-ide
SMILESFc1cccc(N2CCNCC2)n1.Fc1cccc(N2CC[N-]CC2)n1.[Ac]
InChIInChI=1S/C9H12FN3.C9H11FN3.Ac/c2*10-8-2-1-3-9(12-8)13-6-4-11-5-7-13;/h1-3,11H,4-7H2;1-3H,4-7H2;/q;-1;
InChIKeyIXYUMROZVIHXGL-UHFFFAOYSA-N
MW588.42 g/mol
LogP2.04
Rot. Bonds2

About actinium;1-(6-fluoro-2-pyridinyl)piperazine;1-(6-fluoro-2-pyridinyl)piperazin-4-ide

actinium;1-(6-fluoro-2-pyridinyl)piperazine;1-(6-fluoro-2-pyridinyl)piperazin-4-ide (PubChem CID 158169640) has the molecular formula C18H23AcF2N6- and a molecular weight of 588.42 g/mol. Its IUPAC name is actinium;1-(6-fluoro-2-pyridinyl)piperazine;1-(6-fluoro-2-pyridinyl)piperazin-4-ide.

Molecular Properties

Compound Nameactinium;1-(6-fluoro-2-pyridinyl)piperazine;1-(6-fluoro-2-pyridinyl)piperazin-4-ide
PubChem CID158169640
Molecular FormulaC18H23AcF2N6-
Molecular Weight588.42 g/mol
Exact Mass588.22
IUPAC Nameactinium;1-(6-fluoro-2-pyridinyl)piperazine;1-(6-fluoro-2-pyridinyl)piperazin-4-ide
SMILESFc1cccc(N2CCNCC2)n1.Fc1cccc(N2CC[N-]CC2)n1.[Ac]
InChIInChI=1S/C9H12FN3.C9H11FN3.Ac/c2*10-8-2-1-3-9(12-8)13-6-4-11-5-7-13;/h1-3,11H,4-7H2;1-3H,4-7H2;/q;-1;
InChIKeyIXYUMROZVIHXGL-UHFFFAOYSA-N
XLogP2.04
TPSA58.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500588.42
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]pyrimidine
CID 61229554
1-cyclopropyl-4-(6-fluoro-2-pyridinyl)piperazine
CID 61444197
1-ethyl-4-(6-fluoro-2-pyridinyl)piperazine
CID 61230129
N-iodo-6-piperazin-1-ylpyridin-2-amine
CID 166146222
1-(6-fluoro-2-pyridinyl)-2-methylpiperazine
CID 82670139
1-(6-fluoro-2-pyridinyl)pyrrolidine-3,4-diol
CID 106670856
4-(6-fluoro-2-pyridinyl)piperazine-2,6-dione
CID 66061645
4-(6-fluoro-2-pyridinyl)-1,4-thiazepane 1-oxide
CID 130644916
2-(4-ethylpiperidin-1-yl)-6-fluoropyridine
CID 61397764
2-(4-fluorophenyl)-1-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]ethanone
CID 55987649
1-[6-(4-methylsulfanylphenyl)-2-pyridinyl]piperazine
CID 39818397
N-(4-methylphenyl)-6-piperazin-1-ylpyridin-2-amine
CID 122624208

Frequently Asked Questions

What is the IUPAC name of actinium;1-(6-fluoro-2-pyridinyl)piperazine;1-(6-fluoro-2-pyridinyl)piperazin-4-ide?
The IUPAC name of actinium;1-(6-fluoro-2-pyridinyl)piperazine;1-(6-fluoro-2-pyridinyl)piperazin-4-ide (CID 158169640) is actinium;1-(6-fluoro-2-pyridinyl)piperazine;1-(6-fluoro-2-pyridinyl)piperazin-4-ide.
What is the SMILES notation for actinium;1-(6-fluoro-2-pyridinyl)piperazine;1-(6-fluoro-2-pyridinyl)piperazin-4-ide?
The canonical SMILES for actinium;1-(6-fluoro-2-pyridinyl)piperazine;1-(6-fluoro-2-pyridinyl)piperazin-4-ide is Fc1cccc(N2CCNCC2)n1.Fc1cccc(N2CC[N-]CC2)n1.[Ac].
What is the InChIKey of actinium;1-(6-fluoro-2-pyridinyl)piperazine;1-(6-fluoro-2-pyridinyl)piperazin-4-ide?
The InChIKey is IXYUMROZVIHXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3.C9H11FN3.Ac/c2*10-8-2-1-3-9(12-8)13-6-4-11-5-7-13;/h1-3,11H,4-7H2;1-3H,4-7H2;/q;-1;.
What are the key properties of actinium;1-(6-fluoro-2-pyridinyl)piperazine;1-(6-fluoro-2-pyridinyl)piperazin-4-ide?
actinium;1-(6-fluoro-2-pyridinyl)piperazine;1-(6-fluoro-2-pyridinyl)piperazin-4-ide has a molecular weight of 588.42 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;1-(6-fluoro-2-pyridinyl)piperazine;1-(6-fluoro-2-pyridinyl)piperazin-4-ide is sourced from PubChem (CID 158169640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).