4-azido-1-ethyl-2-(methylperoxymethyl)piperidine

C9H18N4O2 — CID 59978165

IUPAC4-azido-1-ethyl-2-(methylperoxymethyl)piperidine
SMILESCCN1CCC(N=[N+]=[N-])CC1COOC
InChIInChI=1S/C9H18N4O2/c1-3-13-5-4-8(11-12-10)6-9(13)7-15-14-2/h8-9H,3-7H2,1-2H3
InChIKeyKQSMSVOVZXXDLZ-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.73
Rot. Bonds5

About 4-azido-1-ethyl-2-(methylperoxymethyl)piperidine

4-azido-1-ethyl-2-(methylperoxymethyl)piperidine (PubChem CID 59978165) has the molecular formula C9H18N4O2 and a molecular weight of 214.27 g/mol. Its IUPAC name is 4-azido-1-ethyl-2-(methylperoxymethyl)piperidine.

Molecular Properties

Compound Name4-azido-1-ethyl-2-(methylperoxymethyl)piperidine
PubChem CID59978165
Molecular FormulaC9H18N4O2
Molecular Weight214.27 g/mol
Exact Mass214.14
IUPAC Name4-azido-1-ethyl-2-(methylperoxymethyl)piperidine
SMILESCCN1CCC(N=[N+]=[N-])CC1COOC
InChIInChI=1S/C9H18N4O2/c1-3-13-5-4-8(11-12-10)6-9(13)7-15-14-2/h8-9H,3-7H2,1-2H3
InChIKeyKQSMSVOVZXXDLZ-UHFFFAOYSA-N
XLogP1.73
TPSA70.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', '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-ethyl-2-(methoxymethyl)azetidine
CID 123419729
4-azido-1-(2-methylbutan-2-yl)piperidine
CID 141258940
3-azido-5-(methoxymethyl)piperidine
CID 146529272
4-azido-1-methyl-2-prop-1-ynylpiperidine
CID 155679057
(2R)-1-ethyl-2-(methoxymethyl)pyrrolidine
CID 59678139
(2R)-1-ethyl-2-(propan-2-yloxymethyl)azetidine
CID 154980113
azane;1,2-diethylazetidine;dihydrochloride
CID 175211859
2-(methylperoxymethyl)-1-propan-2-ylsulfanylpyrrolidine
CID 170241738
(4-azidopiperidin-1-yl) 2,2-dimethylpropanoate
CID 150222079
[(2S,4R)-1-ethyl-4-methylpiperidin-2-yl]methanol
CID 145404764
1,2-diethylpiperidine-4-sulfonamide
CID 170189847
(2S,4S)-1-ethyl-4-fluoro-2-(methoxymethyl)pyrrolidine
CID 131036688

Frequently Asked Questions

What is the IUPAC name of 4-azido-1-ethyl-2-(methylperoxymethyl)piperidine?
The IUPAC name of 4-azido-1-ethyl-2-(methylperoxymethyl)piperidine (CID 59978165) is 4-azido-1-ethyl-2-(methylperoxymethyl)piperidine.
What is the SMILES notation for 4-azido-1-ethyl-2-(methylperoxymethyl)piperidine?
The canonical SMILES for 4-azido-1-ethyl-2-(methylperoxymethyl)piperidine is CCN1CCC(N=[N+]=[N-])CC1COOC.
What is the InChIKey of 4-azido-1-ethyl-2-(methylperoxymethyl)piperidine?
The InChIKey is KQSMSVOVZXXDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O2/c1-3-13-5-4-8(11-12-10)6-9(13)7-15-14-2/h8-9H,3-7H2,1-2H3.
What are the key properties of 4-azido-1-ethyl-2-(methylperoxymethyl)piperidine?
4-azido-1-ethyl-2-(methylperoxymethyl)piperidine has a molecular weight of 214.27 g/mol, XLogP of 1.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-1-ethyl-2-(methylperoxymethyl)piperidine is sourced from PubChem (CID 59978165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).