1-(1-hydroperoxy-2,2-dimethylpropyl)-4-methylpiperidine

C11H23NO2 — CID 23391435

IUPAC1-(1-hydroperoxy-2,2-dimethylpropyl)-4-methylpiperidine
SMILESCC1CCN(C(OO)C(C)(C)C)CC1
InChIInChI=1S/C11H23NO2/c1-9-5-7-12(8-6-9)10(14-13)11(2,3)4/h9-10,13H,5-8H2,1-4H3
InChIKeyKDXKQMVXPOMJGD-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.58
Rot. Bonds2

About 1-(1-hydroperoxy-2,2-dimethylpropyl)-4-methylpiperidine

1-(1-hydroperoxy-2,2-dimethylpropyl)-4-methylpiperidine (PubChem CID 23391435) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 1-(1-hydroperoxy-2,2-dimethylpropyl)-4-methylpiperidine.

Molecular Properties

Compound Name1-(1-hydroperoxy-2,2-dimethylpropyl)-4-methylpiperidine
PubChem CID23391435
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name1-(1-hydroperoxy-2,2-dimethylpropyl)-4-methylpiperidine
SMILESCC1CCN(C(OO)C(C)(C)C)CC1
InChIInChI=1S/C11H23NO2/c1-9-5-7-12(8-6-9)10(14-13)11(2,3)4/h9-10,13H,5-8H2,1-4H3
InChIKeyKDXKQMVXPOMJGD-UHFFFAOYSA-N
XLogP2.58
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.58
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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Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroperoxy-2,2-dimethylpropyl)-4-methylpiperidine?
The IUPAC name of 1-(1-hydroperoxy-2,2-dimethylpropyl)-4-methylpiperidine (CID 23391435) is 1-(1-hydroperoxy-2,2-dimethylpropyl)-4-methylpiperidine.
What is the SMILES notation for 1-(1-hydroperoxy-2,2-dimethylpropyl)-4-methylpiperidine?
The canonical SMILES for 1-(1-hydroperoxy-2,2-dimethylpropyl)-4-methylpiperidine is CC1CCN(C(OO)C(C)(C)C)CC1.
What is the InChIKey of 1-(1-hydroperoxy-2,2-dimethylpropyl)-4-methylpiperidine?
The InChIKey is KDXKQMVXPOMJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-9-5-7-12(8-6-9)10(14-13)11(2,3)4/h9-10,13H,5-8H2,1-4H3.
What are the key properties of 1-(1-hydroperoxy-2,2-dimethylpropyl)-4-methylpiperidine?
1-(1-hydroperoxy-2,2-dimethylpropyl)-4-methylpiperidine has a molecular weight of 201.31 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroperoxy-2,2-dimethylpropyl)-4-methylpiperidine is sourced from PubChem (CID 23391435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).