zinc;2-methylpiperazine;diacetate

C9H18N2O4Zn — CID 174549530

IUPACzinc;2-methylpiperazine;diacetate
SMILESCC(=O)[O-].CC(=O)[O-].CC1CNCCN1.[Zn+2]
InChIInChI=1S/C5H12N2.2C2H4O2.Zn/c1-5-4-6-2-3-7-5;2*1-2(3)4;/h5-7H,2-4H2,1H3;2*1H3,(H,3,4);/q;;;+2/p-2
InChIKeyYFQHIHKFPKNXDA-UHFFFAOYSA-L
MW283.64 g/mol
LogP-2.92
Rot. Bonds

About zinc;2-methylpiperazine;diacetate

zinc;2-methylpiperazine;diacetate (PubChem CID 174549530) has the molecular formula C9H18N2O4Zn and a molecular weight of 283.64 g/mol. Its IUPAC name is zinc;2-methylpiperazine;diacetate.

Molecular Properties

Compound Namezinc;2-methylpiperazine;diacetate
PubChem CID174549530
Molecular FormulaC9H18N2O4Zn
Molecular Weight283.64 g/mol
Exact Mass282.06
IUPAC Namezinc;2-methylpiperazine;diacetate
SMILESCC(=O)[O-].CC(=O)[O-].CC1CNCCN1.[Zn+2]
InChIInChI=1S/C5H12N2.2C2H4O2.Zn/c1-5-4-6-2-3-7-5;2*1-2(3)4;/h5-7H,2-4H2,1H3;2*1H3,(H,3,4);/q;;;+2/p-2
InChIKeyYFQHIHKFPKNXDA-UHFFFAOYSA-L
XLogP-2.92
TPSA104.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.64
LogP ≤ 5-2.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-methylpiperazine;oxalic acid
CID 67824953
trans-(2S,8S)-2,8-dimethyl-1,4,7,10,13-pentazacyclopentadecane
CID 14942559
2-methylpiperazine;hydrate
CID 141084178
copper;hydrogen sulfate;(2S)-2-methylpiperazine;hexahydrate
CID 71529775
2,5-dimethyl-1,4,7-triazonane
CID 66663266
(2S,5R,8S,11S)-2,5,8,11-tetramethyl-1,4,7,10,13-pentazacyclopentadecane
CID 70323374
2-methylpiperazine;molecular hydrogen
CID 143777491
azane;2-methylpiperazine;dihydrochloride
CID 174255785
(2S,3S)-2,3-dihydroxybutanedioic acid;(2S)-2-methylpiperazine
CID 2769566
3-methyl-1,4,7,10-tetrazacyclotridecane
CID 134246892
ethane;2-methylpiperazine;propane
CID 171563379
ethylaminourea;2-methylpiperazine
CID 23318715

Frequently Asked Questions

What is the IUPAC name of zinc;2-methylpiperazine;diacetate?
The IUPAC name of zinc;2-methylpiperazine;diacetate (CID 174549530) is zinc;2-methylpiperazine;diacetate.
What is the SMILES notation for zinc;2-methylpiperazine;diacetate?
The canonical SMILES for zinc;2-methylpiperazine;diacetate is CC(=O)[O-].CC(=O)[O-].CC1CNCCN1.[Zn+2].
What is the InChIKey of zinc;2-methylpiperazine;diacetate?
The InChIKey is YFQHIHKFPKNXDA-UHFFFAOYSA-L. The full InChI is InChI=1S/C5H12N2.2C2H4O2.Zn/c1-5-4-6-2-3-7-5;2*1-2(3)4;/h5-7H,2-4H2,1H3;2*1H3,(H,3,4);/q;;;+2/p-2.
What are the key properties of zinc;2-methylpiperazine;diacetate?
zinc;2-methylpiperazine;diacetate has a molecular weight of 283.64 g/mol, XLogP of -2.92, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;2-methylpiperazine;diacetate is sourced from PubChem (CID 174549530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).