1-ethylperoxypiperidine

C7H15NO2 — CID 140974053

IUPAC1-ethylperoxypiperidine
SMILESCCOON1CCCCC1
InChIInChI=1S/C7H15NO2/c1-2-9-10-8-6-4-3-5-7-8/h2-7H2,1H3
InChIKeyFQTCENSOYKARGH-UHFFFAOYSA-N
MW145.20 g/mol
LogP1.36
Rot. Bonds3

About 1-ethylperoxypiperidine

1-ethylperoxypiperidine (PubChem CID 140974053) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 1-ethylperoxypiperidine.

Molecular Properties

Compound Name1-ethylperoxypiperidine
PubChem CID140974053
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name1-ethylperoxypiperidine
SMILESCCOON1CCCCC1
InChIInChI=1S/C7H15NO2/c1-2-9-10-8-6-4-3-5-7-8/h2-7H2,1H3
InChIKeyFQTCENSOYKARGH-UHFFFAOYSA-N
XLogP1.36
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-ethylperoxypiperidine?
The IUPAC name of 1-ethylperoxypiperidine (CID 140974053) is 1-ethylperoxypiperidine.
What is the SMILES notation for 1-ethylperoxypiperidine?
The canonical SMILES for 1-ethylperoxypiperidine is CCOON1CCCCC1.
What is the InChIKey of 1-ethylperoxypiperidine?
The InChIKey is FQTCENSOYKARGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-2-9-10-8-6-4-3-5-7-8/h2-7H2,1H3.
What are the key properties of 1-ethylperoxypiperidine?
1-ethylperoxypiperidine has a molecular weight of 145.20 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylperoxypiperidine is sourced from PubChem (CID 140974053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).