actinium;1-phenylpiperazine

C10H13AcN2- — CID 20683931

IUPACactinium;1-phenylpiperazine
SMILES[Ac].[c-]1ccc(N2CCNCC2)cc1
InChIInChI=1S/C10H13N2.Ac/c1-2-4-10(5-3-1)12-8-6-11-7-9-12;/h2-5,11H,6-9H2;/q-1;
InChIKeyLMOGGDIQUQLRLL-UHFFFAOYSA-N
MW388.23 g/mol
LogP0.90
Rot. Bonds1

About actinium;1-phenylpiperazine

actinium;1-phenylpiperazine (PubChem CID 20683931) has the molecular formula C10H13AcN2- and a molecular weight of 388.23 g/mol. Its IUPAC name is actinium;1-phenylpiperazine.

Molecular Properties

Compound Nameactinium;1-phenylpiperazine
PubChem CID20683931
Molecular FormulaC10H13AcN2-
Molecular Weight388.23 g/mol
Exact Mass388.14
IUPAC Nameactinium;1-phenylpiperazine
SMILES[Ac].[c-]1ccc(N2CCNCC2)cc1
InChIInChI=1S/C10H13N2.Ac/c1-2-4-10(5-3-1)12-8-6-11-7-9-12;/h2-5,11H,6-9H2;/q-1;
InChIKeyLMOGGDIQUQLRLL-UHFFFAOYSA-N
XLogP0.90
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.23
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze actinium;1-phenylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of actinium;1-phenylpiperazine?
The IUPAC name of actinium;1-phenylpiperazine (CID 20683931) is actinium;1-phenylpiperazine.
What is the SMILES notation for actinium;1-phenylpiperazine?
The canonical SMILES for actinium;1-phenylpiperazine is [Ac].[c-]1ccc(N2CCNCC2)cc1.
What is the InChIKey of actinium;1-phenylpiperazine?
The InChIKey is LMOGGDIQUQLRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N2.Ac/c1-2-4-10(5-3-1)12-8-6-11-7-9-12;/h2-5,11H,6-9H2;/q-1;.
What are the key properties of actinium;1-phenylpiperazine?
actinium;1-phenylpiperazine has a molecular weight of 388.23 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;1-phenylpiperazine is sourced from PubChem (CID 20683931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).