1-hydroperoxy-2,3,6-trimethylpiperidine

C8H17NO2 — CID 141126666

IUPAC1-hydroperoxy-2,3,6-trimethylpiperidine
SMILESCC1CCC(C)N(OO)C1C
InChIInChI=1S/C8H17NO2/c1-6-4-5-7(2)9(11-10)8(6)3/h6-8,10H,4-5H2,1-3H3
InChIKeyWLEXJCUFFVMZFE-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.90
Rot. Bonds1

About 1-hydroperoxy-2,3,6-trimethylpiperidine

1-hydroperoxy-2,3,6-trimethylpiperidine (PubChem CID 141126666) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 1-hydroperoxy-2,3,6-trimethylpiperidine.

Molecular Properties

Compound Name1-hydroperoxy-2,3,6-trimethylpiperidine
PubChem CID141126666
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name1-hydroperoxy-2,3,6-trimethylpiperidine
SMILESCC1CCC(C)N(OO)C1C
InChIInChI=1S/C8H17NO2/c1-6-4-5-7(2)9(11-10)8(6)3/h6-8,10H,4-5H2,1-3H3
InChIKeyWLEXJCUFFVMZFE-UHFFFAOYSA-N
XLogP1.90
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.90
H-Bond Donors ≤ 51
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

ditert-butyl (3S,6R)-3,6-dimethyldiazinane-1,2-dicarboxylate
CID 101100448
(2,5-dimethylpyrrolidin-1-yl)phosphane
CID 143476890
1-hydroxy-2,3-dimethylpyrrolidine
CID 67660109
1-iodo-2,5-dimethylpyrrolidine
CID 121369942
1,5-dimethylpyrrolidine-2-thione
CID 72552176
(2S)-1,2,3-trimethylpyrrolidine
CID 142283455
bis(2,5-dimethylpyrrolidin-1-yl)methanone
CID 91030343
CID 169243446
CID 169243446
2-hydroperoxy-1,4-dimethylcyclohexane
CID 118983567
1,2-dimethylcyclobutane;methylboronic acid
CID 90968222
cis-(1S,3R)-1,2,3-trimethylcyclopentane
CID 6427077
tert-butyl (6R)-2,6-dimethylpiperidine-1-carboxylate
CID 144878026

Frequently Asked Questions

What is the IUPAC name of 1-hydroperoxy-2,3,6-trimethylpiperidine?
The IUPAC name of 1-hydroperoxy-2,3,6-trimethylpiperidine (CID 141126666) is 1-hydroperoxy-2,3,6-trimethylpiperidine.
What is the SMILES notation for 1-hydroperoxy-2,3,6-trimethylpiperidine?
The canonical SMILES for 1-hydroperoxy-2,3,6-trimethylpiperidine is CC1CCC(C)N(OO)C1C.
What is the InChIKey of 1-hydroperoxy-2,3,6-trimethylpiperidine?
The InChIKey is WLEXJCUFFVMZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-6-4-5-7(2)9(11-10)8(6)3/h6-8,10H,4-5H2,1-3H3.
What are the key properties of 1-hydroperoxy-2,3,6-trimethylpiperidine?
1-hydroperoxy-2,3,6-trimethylpiperidine has a molecular weight of 159.23 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroperoxy-2,3,6-trimethylpiperidine is sourced from PubChem (CID 141126666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).