1-[4-(ethylperoxymethyl)piperidin-1-yl]ethanimine

C10H20N2O2 — CID 89063487

IUPAC1-[4-(ethylperoxymethyl)piperidin-1-yl]ethanimine
SMILES[H]/N=C(\C)N1CCC(COOCC)CC1
InChIInChI=1S/C10H20N2O2/c1-3-13-14-8-10-4-6-12(7-5-10)9(2)11/h10-11H,3-8H2,1-2H3/b11-9+
InChIKeyLTJJAUHHVOUXME-PKNBQFBNSA-N
MW200.28 g/mol
LogP1.66
Rot. Bonds4

About 1-[4-(ethylperoxymethyl)piperidin-1-yl]ethanimine

1-[4-(ethylperoxymethyl)piperidin-1-yl]ethanimine (PubChem CID 89063487) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-[4-(ethylperoxymethyl)piperidin-1-yl]ethanimine.

Molecular Properties

Compound Name1-[4-(ethylperoxymethyl)piperidin-1-yl]ethanimine
PubChem CID89063487
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name1-[4-(ethylperoxymethyl)piperidin-1-yl]ethanimine
SMILES[H]/N=C(\C)N1CCC(COOCC)CC1
InChIInChI=1S/C10H20N2O2/c1-3-13-14-8-10-4-6-12(7-5-10)9(2)11/h10-11H,3-8H2,1-2H3/b11-9+
InChIKeyLTJJAUHHVOUXME-PKNBQFBNSA-N
XLogP1.66
TPSA45.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze 1-[4-(ethylperoxymethyl)piperidin-1-yl]ethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(ethylperoxymethyl)piperidin-1-yl]ethanimine?
The IUPAC name of 1-[4-(ethylperoxymethyl)piperidin-1-yl]ethanimine (CID 89063487) is 1-[4-(ethylperoxymethyl)piperidin-1-yl]ethanimine.
What is the SMILES notation for 1-[4-(ethylperoxymethyl)piperidin-1-yl]ethanimine?
The canonical SMILES for 1-[4-(ethylperoxymethyl)piperidin-1-yl]ethanimine is [H]/N=C(\C)N1CCC(COOCC)CC1.
What is the InChIKey of 1-[4-(ethylperoxymethyl)piperidin-1-yl]ethanimine?
The InChIKey is LTJJAUHHVOUXME-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-3-13-14-8-10-4-6-12(7-5-10)9(2)11/h10-11H,3-8H2,1-2H3/b11-9+.
What are the key properties of 1-[4-(ethylperoxymethyl)piperidin-1-yl]ethanimine?
1-[4-(ethylperoxymethyl)piperidin-1-yl]ethanimine has a molecular weight of 200.28 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(ethylperoxymethyl)piperidin-1-yl]ethanimine is sourced from PubChem (CID 89063487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).