1,3,4-trimethyl-3-(3-methylperoxypropyl)piperidine

C12H25NO2 — CID 18684988

IUPAC1,3,4-trimethyl-3-(3-methylperoxypropyl)piperidine
SMILESCOOCCCC1(C)CN(C)CCC1C
InChIInChI=1S/C12H25NO2/c1-11-6-8-13(3)10-12(11,2)7-5-9-15-14-4/h11H,5-10H2,1-4H3
InChIKeySLZKHLQCXDOMPQ-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.32
Rot. Bonds5

About 1,3,4-trimethyl-3-(3-methylperoxypropyl)piperidine

1,3,4-trimethyl-3-(3-methylperoxypropyl)piperidine (PubChem CID 18684988) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 1,3,4-trimethyl-3-(3-methylperoxypropyl)piperidine.

Molecular Properties

Compound Name1,3,4-trimethyl-3-(3-methylperoxypropyl)piperidine
PubChem CID18684988
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name1,3,4-trimethyl-3-(3-methylperoxypropyl)piperidine
SMILESCOOCCCC1(C)CN(C)CCC1C
InChIInChI=1S/C12H25NO2/c1-11-6-8-13(3)10-12(11,2)7-5-9-15-14-4/h11H,5-10H2,1-4H3
InChIKeySLZKHLQCXDOMPQ-UHFFFAOYSA-N
XLogP2.32
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 1,3,4-trimethyl-3-(3-methylperoxypropyl)piperidine?
The IUPAC name of 1,3,4-trimethyl-3-(3-methylperoxypropyl)piperidine (CID 18684988) is 1,3,4-trimethyl-3-(3-methylperoxypropyl)piperidine.
What is the SMILES notation for 1,3,4-trimethyl-3-(3-methylperoxypropyl)piperidine?
The canonical SMILES for 1,3,4-trimethyl-3-(3-methylperoxypropyl)piperidine is COOCCCC1(C)CN(C)CCC1C.
What is the InChIKey of 1,3,4-trimethyl-3-(3-methylperoxypropyl)piperidine?
The InChIKey is SLZKHLQCXDOMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-11-6-8-13(3)10-12(11,2)7-5-9-15-14-4/h11H,5-10H2,1-4H3.
What are the key properties of 1,3,4-trimethyl-3-(3-methylperoxypropyl)piperidine?
1,3,4-trimethyl-3-(3-methylperoxypropyl)piperidine has a molecular weight of 215.34 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4-trimethyl-3-(3-methylperoxypropyl)piperidine is sourced from PubChem (CID 18684988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).