2-hydroperoxyperoxy-1-(4-methylpiperazin-1-yl)ethanone

C7H14N2O5 — CID 58602972

IUPAC2-hydroperoxyperoxy-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)COOOO)CC1
InChIInChI=1S/C7H14N2O5/c1-8-2-4-9(5-3-8)7(10)6-12-14-13-11/h11H,2-6H2,1H3
InChIKeyHQXMHPFSARDIRM-UHFFFAOYSA-N
MW206.20 g/mol
LogP-0.89
Rot. Bonds4

About 2-hydroperoxyperoxy-1-(4-methylpiperazin-1-yl)ethanone

2-hydroperoxyperoxy-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 58602972) has the molecular formula C7H14N2O5 and a molecular weight of 206.20 g/mol. Its IUPAC name is 2-hydroperoxyperoxy-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-hydroperoxyperoxy-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID58602972
Molecular FormulaC7H14N2O5
Molecular Weight206.20 g/mol
Exact Mass206.09
IUPAC Name2-hydroperoxyperoxy-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)COOOO)CC1
InChIInChI=1S/C7H14N2O5/c1-8-2-4-9(5-3-8)7(10)6-12-14-13-11/h11H,2-6H2,1H3
InChIKeyHQXMHPFSARDIRM-UHFFFAOYSA-N
XLogP-0.89
TPSA71.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 5-0.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroperoxyperoxy-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-hydroperoxyperoxy-1-(4-methylpiperazin-1-yl)ethanone (CID 58602972) is 2-hydroperoxyperoxy-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-hydroperoxyperoxy-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-hydroperoxyperoxy-1-(4-methylpiperazin-1-yl)ethanone is CN1CCN(C(=O)COOOO)CC1.
What is the InChIKey of 2-hydroperoxyperoxy-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is HQXMHPFSARDIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O5/c1-8-2-4-9(5-3-8)7(10)6-12-14-13-11/h11H,2-6H2,1H3.
What are the key properties of 2-hydroperoxyperoxy-1-(4-methylpiperazin-1-yl)ethanone?
2-hydroperoxyperoxy-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 206.20 g/mol, XLogP of -0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroperoxyperoxy-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 58602972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).