1-methyl-4-(2-oxidooxyperoxyethyl)piperazine

C7H15N2O4- — CID 58602956

IUPAC1-methyl-4-(2-oxidooxyperoxyethyl)piperazine
SMILESCN1CCN(CCOOO[O-])CC1
InChIInChI=1S/C7H16N2O4/c1-8-2-4-9(5-3-8)6-7-11-13-12-10/h10H,2-7H2,1H3/p-1
InChIKeyYHJYHFACLPDCRW-UHFFFAOYSA-M
MW191.21 g/mol
LogP-1.61
Rot. Bonds5

About 1-methyl-4-(2-oxidooxyperoxyethyl)piperazine

1-methyl-4-(2-oxidooxyperoxyethyl)piperazine (PubChem CID 58602956) has the molecular formula C7H15N2O4- and a molecular weight of 191.21 g/mol. Its IUPAC name is 1-methyl-4-(2-oxidooxyperoxyethyl)piperazine.

Molecular Properties

Compound Name1-methyl-4-(2-oxidooxyperoxyethyl)piperazine
PubChem CID58602956
Molecular FormulaC7H15N2O4-
Molecular Weight191.21 g/mol
Exact Mass191.10
IUPAC Name1-methyl-4-(2-oxidooxyperoxyethyl)piperazine
SMILESCN1CCN(CCOOO[O-])CC1
InChIInChI=1S/C7H16N2O4/c1-8-2-4-9(5-3-8)6-7-11-13-12-10/h10H,2-7H2,1H3/p-1
InChIKeyYHJYHFACLPDCRW-UHFFFAOYSA-M
XLogP-1.61
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.21
LogP ≤ 5-1.61
H-Bond Donors ≤ 50
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 1-methyl-4-(2-oxidooxyperoxyethyl)piperazine?
The IUPAC name of 1-methyl-4-(2-oxidooxyperoxyethyl)piperazine (CID 58602956) is 1-methyl-4-(2-oxidooxyperoxyethyl)piperazine.
What is the SMILES notation for 1-methyl-4-(2-oxidooxyperoxyethyl)piperazine?
The canonical SMILES for 1-methyl-4-(2-oxidooxyperoxyethyl)piperazine is CN1CCN(CCOOO[O-])CC1.
What is the InChIKey of 1-methyl-4-(2-oxidooxyperoxyethyl)piperazine?
The InChIKey is YHJYHFACLPDCRW-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H16N2O4/c1-8-2-4-9(5-3-8)6-7-11-13-12-10/h10H,2-7H2,1H3/p-1.
What are the key properties of 1-methyl-4-(2-oxidooxyperoxyethyl)piperazine?
1-methyl-4-(2-oxidooxyperoxyethyl)piperazine has a molecular weight of 191.21 g/mol, XLogP of -1.61, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-oxidooxyperoxyethyl)piperazine is sourced from PubChem (CID 58602956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).