magnesium;1-ethyl-4-(phenylmethyl)piperazine;bromide

C13H19BrMgN2 — CID 91656246

IUPACmagnesium;1-ethyl-4-(phenylmethyl)piperazine;bromide
SMILESCCN1CCN(Cc2[c-]cccc2)CC1.[Br-].[Mg+2]
InChIInChI=1S/C13H19N2.BrH.Mg/c1-2-14-8-10-15(11-9-14)12-13-6-4-3-5-7-13;;/h3-6H,2,8-12H2,1H3;1H;/q-1;;+2/p-1
InChIKeyKQQXIAKJDZRNIX-UHFFFAOYSA-M
MW307.52 g/mol
LogP-1.75
Rot. Bonds3

About magnesium;1-ethyl-4-(phenylmethyl)piperazine;bromide

magnesium;1-ethyl-4-(phenylmethyl)piperazine;bromide (PubChem CID 91656246) has the molecular formula C13H19BrMgN2 and a molecular weight of 307.52 g/mol. Its IUPAC name is magnesium;1-ethyl-4-(phenylmethyl)piperazine;bromide.

Molecular Properties

Compound Namemagnesium;1-ethyl-4-(phenylmethyl)piperazine;bromide
PubChem CID91656246
Molecular FormulaC13H19BrMgN2
Molecular Weight307.52 g/mol
Exact Mass306.06
IUPAC Namemagnesium;1-ethyl-4-(phenylmethyl)piperazine;bromide
SMILESCCN1CCN(Cc2[c-]cccc2)CC1.[Br-].[Mg+2]
InChIInChI=1S/C13H19N2.BrH.Mg/c1-2-14-8-10-15(11-9-14)12-13-6-4-3-5-7-13;;/h3-6H,2,8-12H2,1H3;1H;/q-1;;+2/p-1
InChIKeyKQQXIAKJDZRNIX-UHFFFAOYSA-M
XLogP-1.75
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.52
LogP ≤ 5-1.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of magnesium;1-ethyl-4-(phenylmethyl)piperazine;bromide?
The IUPAC name of magnesium;1-ethyl-4-(phenylmethyl)piperazine;bromide (CID 91656246) is magnesium;1-ethyl-4-(phenylmethyl)piperazine;bromide.
What is the SMILES notation for magnesium;1-ethyl-4-(phenylmethyl)piperazine;bromide?
The canonical SMILES for magnesium;1-ethyl-4-(phenylmethyl)piperazine;bromide is CCN1CCN(Cc2[c-]cccc2)CC1.[Br-].[Mg+2].
What is the InChIKey of magnesium;1-ethyl-4-(phenylmethyl)piperazine;bromide?
The InChIKey is KQQXIAKJDZRNIX-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H19N2.BrH.Mg/c1-2-14-8-10-15(11-9-14)12-13-6-4-3-5-7-13;;/h3-6H,2,8-12H2,1H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;1-ethyl-4-(phenylmethyl)piperazine;bromide?
magnesium;1-ethyl-4-(phenylmethyl)piperazine;bromide has a molecular weight of 307.52 g/mol, XLogP of -1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1-ethyl-4-(phenylmethyl)piperazine;bromide is sourced from PubChem (CID 91656246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).