1-(tert-butylperoxymethyl)piperidine

C10H21NO2 — CID 12045918

IUPAC1-(tert-butylperoxymethyl)piperidine
SMILESCC(C)(C)OOCN1CCCCC1
InChIInChI=1S/C10H21NO2/c1-10(2,3)13-12-9-11-7-5-4-6-8-11/h4-9H2,1-3H3
InChIKeyQYXZHBBXURJKAE-UHFFFAOYSA-N
MW187.28 g/mol
LogP2.18
Rot. Bonds3

About 1-(tert-butylperoxymethyl)piperidine

1-(tert-butylperoxymethyl)piperidine (PubChem CID 12045918) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 1-(tert-butylperoxymethyl)piperidine.

Molecular Properties

Compound Name1-(tert-butylperoxymethyl)piperidine
PubChem CID12045918
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name1-(tert-butylperoxymethyl)piperidine
SMILESCC(C)(C)OOCN1CCCCC1
InChIInChI=1S/C10H21NO2/c1-10(2,3)13-12-9-11-7-5-4-6-8-11/h4-9H2,1-3H3
InChIKeyQYXZHBBXURJKAE-UHFFFAOYSA-N
XLogP2.18
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 52.18
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'}

Analyze 1-(tert-butylperoxymethyl)piperidine 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-(tert-butylperoxymethyl)piperidine?
The IUPAC name of 1-(tert-butylperoxymethyl)piperidine (CID 12045918) is 1-(tert-butylperoxymethyl)piperidine.
What is the SMILES notation for 1-(tert-butylperoxymethyl)piperidine?
The canonical SMILES for 1-(tert-butylperoxymethyl)piperidine is CC(C)(C)OOCN1CCCCC1.
What is the InChIKey of 1-(tert-butylperoxymethyl)piperidine?
The InChIKey is QYXZHBBXURJKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-10(2,3)13-12-9-11-7-5-4-6-8-11/h4-9H2,1-3H3.
What are the key properties of 1-(tert-butylperoxymethyl)piperidine?
1-(tert-butylperoxymethyl)piperidine has a molecular weight of 187.28 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylperoxymethyl)piperidine is sourced from PubChem (CID 12045918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).