1-(tert-butylperoxymethyl)-4-methylpiperidine

C11H23NO2 — CID 574521

IUPAC1-(tert-butylperoxymethyl)-4-methylpiperidine
SMILESCC1CCN(COOC(C)(C)C)CC1
InChIInChI=1S/C11H23NO2/c1-10-5-7-12(8-6-10)9-13-14-11(2,3)4/h10H,5-9H2,1-4H3
InChIKeyFULMLZAHYNIOSU-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.42
Rot. Bonds3

About 1-(tert-butylperoxymethyl)-4-methylpiperidine

1-(tert-butylperoxymethyl)-4-methylpiperidine (PubChem CID 574521) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 1-(tert-butylperoxymethyl)-4-methylpiperidine.

Molecular Properties

Compound Name1-(tert-butylperoxymethyl)-4-methylpiperidine
PubChem CID574521
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name1-(tert-butylperoxymethyl)-4-methylpiperidine
SMILESCC1CCN(COOC(C)(C)C)CC1
InChIInChI=1S/C11H23NO2/c1-10-5-7-12(8-6-10)9-13-14-11(2,3)4/h10H,5-9H2,1-4H3
InChIKeyFULMLZAHYNIOSU-UHFFFAOYSA-N
XLogP2.42
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.42
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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Related Compounds

1-(Tert-butylperoxymethyl)piperidine
CID 12045918
(1-Ethyl-4-methylpiperidin-4-yl) hypofluorite
CID 145567702
4-Methoxy-1,4-dimethylpiperidine
CID 13802894
1-Ethyl-4-methoxy-4-methylpiperidine
CID 13802895
Piperidine, 4-methoxy-1-methyl-4-(1-methylethyl)-(9CI)
CID 13802897
1-(Methoxymethyl)-4-methylpiperidine
CID 18738070
1-Methyl-4-(methylperoxymethyl)piperidine
CID 20603020
4-Ethyl-4-methoxy-1-methylpiperidine
CID 21050552
1-(1-Hydroperoxy-2,2-dimethylpropyl)-4-methylpiperidine
CID 23391435
4-Ethyl-1-methylperoxysulfanylpiperidine
CID 57553439
4-Methoxy-4-propan-2-yl-1-propylpiperidine
CID 58516681
4-Methyl-1-[3-[(2-methylpropan-2-yl)oxy]propyl]piperidine
CID 68059812

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylperoxymethyl)-4-methylpiperidine?
The IUPAC name of 1-(tert-butylperoxymethyl)-4-methylpiperidine (CID 574521) is 1-(tert-butylperoxymethyl)-4-methylpiperidine.
What is the SMILES notation for 1-(tert-butylperoxymethyl)-4-methylpiperidine?
The canonical SMILES for 1-(tert-butylperoxymethyl)-4-methylpiperidine is CC1CCN(COOC(C)(C)C)CC1.
What is the InChIKey of 1-(tert-butylperoxymethyl)-4-methylpiperidine?
The InChIKey is FULMLZAHYNIOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-10-5-7-12(8-6-10)9-13-14-11(2,3)4/h10H,5-9H2,1-4H3.
What are the key properties of 1-(tert-butylperoxymethyl)-4-methylpiperidine?
1-(tert-butylperoxymethyl)-4-methylpiperidine has a molecular weight of 201.31 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylperoxymethyl)-4-methylpiperidine is sourced from PubChem (CID 574521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).