magnesium;1-phenylpiperazine;propane;hydrobromide

C13H22BrMgN2+ — CID 173457865

IUPACmagnesium;1-phenylpiperazine;propane;hydrobromide
SMILESBr.[CH2-]CC.[Mg+2].c1ccc(N2CCNCC2)cc1
InChIInChI=1S/C10H14N2.C3H7.BrH.Mg/c1-2-4-10(5-3-1)12-8-6-11-7-9-12;1-3-2;;/h1-5,11H,6-9H2;1,3H2,2H3;1H;/q;-1;;+2
InChIKeyXIMANSRSMNJHPU-UHFFFAOYSA-N
MW310.54 g/mol
LogP2.52
Rot. Bonds1

About magnesium;1-phenylpiperazine;propane;hydrobromide

magnesium;1-phenylpiperazine;propane;hydrobromide (PubChem CID 173457865) has the molecular formula C13H22BrMgN2+ and a molecular weight of 310.54 g/mol. Its IUPAC name is magnesium;1-phenylpiperazine;propane;hydrobromide.

Molecular Properties

Compound Namemagnesium;1-phenylpiperazine;propane;hydrobromide
PubChem CID173457865
Molecular FormulaC13H22BrMgN2+
Molecular Weight310.54 g/mol
Exact Mass309.08
IUPAC Namemagnesium;1-phenylpiperazine;propane;hydrobromide
SMILESBr.[CH2-]CC.[Mg+2].c1ccc(N2CCNCC2)cc1
InChIInChI=1S/C10H14N2.C3H7.BrH.Mg/c1-2-4-10(5-3-1)12-8-6-11-7-9-12;1-3-2;;/h1-5,11H,6-9H2;1,3H2,2H3;1H;/q;-1;;+2
InChIKeyXIMANSRSMNJHPU-UHFFFAOYSA-N
XLogP2.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.54
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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1-(4-benzylphenyl)piperazine
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1-(4-phenoxyphenyl)piperazine
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1-(3-ethylphenyl)piperazine;hydrochloride
CID 19911472
1-(3-ethoxyphenyl)piperazine
CID 14519634
1-[4-(4-ethylphenyl)phenyl]piperazine
CID 82092038
1-(1-phenylpiperidin-4-yl)piperazine
CID 2737157
1-(2-piperazin-1-ylphenyl)piperazine;hydrobromide
CID 118703673
4-piperazin-1-ylphenol;dihydrobromide
CID 2723591
1-(5-ethyl-1-phenylpyrazol-4-yl)piperazine
CID 117210557
ethane;1-[(1-phenylpiperidin-4-yl)methyl]-4-(piperidin-4-ylmethyl)piperazine;propane
CID 171069899

Frequently Asked Questions

What is the IUPAC name of magnesium;1-phenylpiperazine;propane;hydrobromide?
The IUPAC name of magnesium;1-phenylpiperazine;propane;hydrobromide (CID 173457865) is magnesium;1-phenylpiperazine;propane;hydrobromide.
What is the SMILES notation for magnesium;1-phenylpiperazine;propane;hydrobromide?
The canonical SMILES for magnesium;1-phenylpiperazine;propane;hydrobromide is Br.[CH2-]CC.[Mg+2].c1ccc(N2CCNCC2)cc1.
What is the InChIKey of magnesium;1-phenylpiperazine;propane;hydrobromide?
The InChIKey is XIMANSRSMNJHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2.C3H7.BrH.Mg/c1-2-4-10(5-3-1)12-8-6-11-7-9-12;1-3-2;;/h1-5,11H,6-9H2;1,3H2,2H3;1H;/q;-1;;+2.
What are the key properties of magnesium;1-phenylpiperazine;propane;hydrobromide?
magnesium;1-phenylpiperazine;propane;hydrobromide has a molecular weight of 310.54 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1-phenylpiperazine;propane;hydrobromide is sourced from PubChem (CID 173457865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).