1-methyl-4-(methylperoxymethyl)piperidine

C8H17NO2 — CID 20603020

IUPAC1-methyl-4-(methylperoxymethyl)piperidine
SMILESCOOCC1CCN(C)CC1
InChIInChI=1S/C8H17NO2/c1-9-5-3-8(4-6-9)7-11-10-2/h8H,3-7H2,1-2H3
InChIKeyDYZJTAUXPINVKH-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.91
Rot. Bonds3

About 1-methyl-4-(methylperoxymethyl)piperidine

1-methyl-4-(methylperoxymethyl)piperidine (PubChem CID 20603020) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 1-methyl-4-(methylperoxymethyl)piperidine.

Molecular Properties

Compound Name1-methyl-4-(methylperoxymethyl)piperidine
PubChem CID20603020
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name1-methyl-4-(methylperoxymethyl)piperidine
SMILESCOOCC1CCN(C)CC1
InChIInChI=1S/C8H17NO2/c1-9-5-3-8(4-6-9)7-11-10-2/h8H,3-7H2,1-2H3
InChIKeyDYZJTAUXPINVKH-UHFFFAOYSA-N
XLogP0.91
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.91
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-t-Butyldioxymethyl-4-methylpiperidine
CID 574521
(1-Ethyl-4-piperidinyl)methanol
CID 15512642
(1-Butylpiperidin-4-yl)methanol
CID 10241250
(1,1-Dimethylpiperidin-1-ium-4-yl)methanol
CID 3025136
4-Fluoro-4-(methoxymethyl)-1-methylpiperidine
CID 57580403
1-Ethyl-4-fluoro-4-(methoxymethyl)piperidine
CID 68321528
1-(2-Fluoro-2-methylpropyl)-4-(methoxymethyl)piperidine
CID 126749522
(1-Methylpiperidin-4-yl)methyl hypofluorite
CID 143975411
4-Fluoro-4-(methoxymethyl)-1-propylpiperidine
CID 156885587
4-[[(2R)-2-fluorobutoxy]methyl]-1-methylpiperidine
CID 166537460
4-(4-Methylpiperidin-1-yl)butyl hypofluorite
CID 174317127
4-(4-Propan-2-ylpiperidin-1-yl)butyl hypofluorite
CID 176985714

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(methylperoxymethyl)piperidine?
The IUPAC name of 1-methyl-4-(methylperoxymethyl)piperidine (CID 20603020) is 1-methyl-4-(methylperoxymethyl)piperidine.
What is the SMILES notation for 1-methyl-4-(methylperoxymethyl)piperidine?
The canonical SMILES for 1-methyl-4-(methylperoxymethyl)piperidine is COOCC1CCN(C)CC1.
What is the InChIKey of 1-methyl-4-(methylperoxymethyl)piperidine?
The InChIKey is DYZJTAUXPINVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-9-5-3-8(4-6-9)7-11-10-2/h8H,3-7H2,1-2H3.
What are the key properties of 1-methyl-4-(methylperoxymethyl)piperidine?
1-methyl-4-(methylperoxymethyl)piperidine has a molecular weight of 159.23 g/mol, XLogP of 0.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(methylperoxymethyl)piperidine is sourced from PubChem (CID 20603020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).