magnesium;(4-ethylpiperazin-1-yl)-phenylmethanone;chloride

C13H17ClMgN2O — CID 134860057

IUPACmagnesium;(4-ethylpiperazin-1-yl)-phenylmethanone;chloride
SMILESCCN1CCN(C(=O)c2cc[c-]cc2)CC1.[Cl-].[Mg+2]
InChIInChI=1S/C13H17N2O.ClH.Mg/c1-2-14-8-10-15(11-9-14)13(16)12-6-4-3-5-7-12;;/h4-7H,2,8-11H2,1H3;1H;/q-1;;+2/p-1
InChIKeyHRZXQCIRMKODPU-UHFFFAOYSA-M
MW277.05 g/mol
LogP-2.11
Rot. Bonds2

About magnesium;(4-ethylpiperazin-1-yl)-phenylmethanone;chloride

magnesium;(4-ethylpiperazin-1-yl)-phenylmethanone;chloride (PubChem CID 134860057) has the molecular formula C13H17ClMgN2O and a molecular weight of 277.05 g/mol. Its IUPAC name is magnesium;(4-ethylpiperazin-1-yl)-phenylmethanone;chloride.

Molecular Properties

Compound Namemagnesium;(4-ethylpiperazin-1-yl)-phenylmethanone;chloride
PubChem CID134860057
Molecular FormulaC13H17ClMgN2O
Molecular Weight277.05 g/mol
Exact Mass276.09
IUPAC Namemagnesium;(4-ethylpiperazin-1-yl)-phenylmethanone;chloride
SMILESCCN1CCN(C(=O)c2cc[c-]cc2)CC1.[Cl-].[Mg+2]
InChIInChI=1S/C13H17N2O.ClH.Mg/c1-2-14-8-10-15(11-9-14)13(16)12-6-4-3-5-7-12;;/h4-7H,2,8-11H2,1H3;1H;/q-1;;+2/p-1
InChIKeyHRZXQCIRMKODPU-UHFFFAOYSA-M
XLogP-2.11
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.05
LogP ≤ 5-2.11
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;(4-ethylpiperazin-1-yl)-phenylmethanone;chloride?
The IUPAC name of magnesium;(4-ethylpiperazin-1-yl)-phenylmethanone;chloride (CID 134860057) is magnesium;(4-ethylpiperazin-1-yl)-phenylmethanone;chloride.
What is the SMILES notation for magnesium;(4-ethylpiperazin-1-yl)-phenylmethanone;chloride?
The canonical SMILES for magnesium;(4-ethylpiperazin-1-yl)-phenylmethanone;chloride is CCN1CCN(C(=O)c2cc[c-]cc2)CC1.[Cl-].[Mg+2].
What is the InChIKey of magnesium;(4-ethylpiperazin-1-yl)-phenylmethanone;chloride?
The InChIKey is HRZXQCIRMKODPU-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H17N2O.ClH.Mg/c1-2-14-8-10-15(11-9-14)13(16)12-6-4-3-5-7-12;;/h4-7H,2,8-11H2,1H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;(4-ethylpiperazin-1-yl)-phenylmethanone;chloride?
magnesium;(4-ethylpiperazin-1-yl)-phenylmethanone;chloride has a molecular weight of 277.05 g/mol, XLogP of -2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;(4-ethylpiperazin-1-yl)-phenylmethanone;chloride is sourced from PubChem (CID 134860057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).