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

C8H16N2O2 — CID 18727528

IUPAC1-[4-(hydroperoxymethyl)piperidin-1-yl]ethanimine
SMILES[H]/N=C(\C)N1CCC(COO)CC1
InChIInChI=1S/C8H16N2O2/c1-7(9)10-4-2-8(3-5-10)6-12-11/h8-9,11H,2-6H2,1H3/b9-7+
InChIKeyJMNOOXMPBIHZKR-VQHVLOKHSA-N
MW172.23 g/mol
LogP1.19
Rot. Bonds2

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

1-[4-(hydroperoxymethyl)piperidin-1-yl]ethanimine (PubChem CID 18727528) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 1-[4-(hydroperoxymethyl)piperidin-1-yl]ethanimine.

Molecular Properties

Compound Name1-[4-(hydroperoxymethyl)piperidin-1-yl]ethanimine
PubChem CID18727528
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name1-[4-(hydroperoxymethyl)piperidin-1-yl]ethanimine
SMILES[H]/N=C(\C)N1CCC(COO)CC1
InChIInChI=1S/C8H16N2O2/c1-7(9)10-4-2-8(3-5-10)6-12-11/h8-9,11H,2-6H2,1H3/b9-7+
InChIKeyJMNOOXMPBIHZKR-VQHVLOKHSA-N
XLogP1.19
TPSA56.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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'}

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Related Compounds

1-[4-(Methoxymethyl)piperidin-1-yl]ethanimine
CID 17797489
(1-Ethanimidoylpiperidin-4-yl)methanol
CID 59020702
2-(1-Ethanimidoylpiperidin-3-yl)ethanol
CID 59020818
1-[4-(Ethylperoxymethyl)piperidin-1-yl]ethanimine
CID 89063487
(1-Ethanimidoylpiperidin-4-yl)methanediol
CID 142132193
N-methyl-N-(oxan-4-ylmethyl)ethanimidamide
CID 63707938
5-[4-(Methoxymethyl)piperidin-1-yl]pentanimidamide
CID 63971931
4-[4-(Methoxymethyl)piperidin-1-yl]butanimidamide
CID 63972319
1-[4-(Methoxymethyl)piperidin-1-yl]-2-methylpropan-1-imine
CID 63977510
Cyclopropyl-[4-(methoxymethyl)piperidin-1-yl]methanimine
CID 63977511
1-[4-(Methoxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-imine
CID 63977512
1-[4-(Methoxymethyl)piperidin-1-yl]butan-1-imine
CID 63980201

Frequently Asked Questions

What is the IUPAC name of 1-[4-(hydroperoxymethyl)piperidin-1-yl]ethanimine?
The IUPAC name of 1-[4-(hydroperoxymethyl)piperidin-1-yl]ethanimine (CID 18727528) is 1-[4-(hydroperoxymethyl)piperidin-1-yl]ethanimine.
What is the SMILES notation for 1-[4-(hydroperoxymethyl)piperidin-1-yl]ethanimine?
The canonical SMILES for 1-[4-(hydroperoxymethyl)piperidin-1-yl]ethanimine is [H]/N=C(\C)N1CCC(COO)CC1.
What is the InChIKey of 1-[4-(hydroperoxymethyl)piperidin-1-yl]ethanimine?
The InChIKey is JMNOOXMPBIHZKR-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-7(9)10-4-2-8(3-5-10)6-12-11/h8-9,11H,2-6H2,1H3/b9-7+.
What are the key properties of 1-[4-(hydroperoxymethyl)piperidin-1-yl]ethanimine?
1-[4-(hydroperoxymethyl)piperidin-1-yl]ethanimine has a molecular weight of 172.23 g/mol, XLogP of 1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(hydroperoxymethyl)piperidin-1-yl]ethanimine is sourced from PubChem (CID 18727528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).