(2R,6S)-2-(ethylperoxymethyl)-6-phenylpiperidine

C14H21NO2 — CID 45489899

IUPAC(2R,6S)-2-(ethylperoxymethyl)-6-phenylpiperidine
SMILESCCOOC[C@H]1CCC[C@@H](c2ccccc2)N1
InChIInChI=1S/C14H21NO2/c1-2-16-17-11-13-9-6-10-14(15-13)12-7-4-3-5-8-12/h3-5,7-8,13-15H,2,6,9-11H2,1H3/t13-,14+/m1/s1
InChIKeyBUTOLCMPDCLALO-KGLIPLIRSA-N
MW235.33 g/mol
LogP2.84
Rot. Bonds5

About (2R,6S)-2-(ethylperoxymethyl)-6-phenylpiperidine

(2R,6S)-2-(ethylperoxymethyl)-6-phenylpiperidine (PubChem CID 45489899) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is (2R,6S)-2-(ethylperoxymethyl)-6-phenylpiperidine.

Molecular Properties

Compound Name(2R,6S)-2-(ethylperoxymethyl)-6-phenylpiperidine
PubChem CID45489899
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name(2R,6S)-2-(ethylperoxymethyl)-6-phenylpiperidine
SMILESCCOOC[C@H]1CCC[C@@H](c2ccccc2)N1
InChIInChI=1S/C14H21NO2/c1-2-16-17-11-13-9-6-10-14(15-13)12-7-4-3-5-8-12/h3-5,7-8,13-15H,2,6,9-11H2,1H3/t13-,14+/m1/s1
InChIKeyBUTOLCMPDCLALO-KGLIPLIRSA-N
XLogP2.84
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.84
H-Bond Donors ≤ 51
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 (2R,6S)-2-(ethylperoxymethyl)-6-phenylpiperidine?
The IUPAC name of (2R,6S)-2-(ethylperoxymethyl)-6-phenylpiperidine (CID 45489899) is (2R,6S)-2-(ethylperoxymethyl)-6-phenylpiperidine.
What is the SMILES notation for (2R,6S)-2-(ethylperoxymethyl)-6-phenylpiperidine?
The canonical SMILES for (2R,6S)-2-(ethylperoxymethyl)-6-phenylpiperidine is CCOOC[C@H]1CCC[C@@H](c2ccccc2)N1.
What is the InChIKey of (2R,6S)-2-(ethylperoxymethyl)-6-phenylpiperidine?
The InChIKey is BUTOLCMPDCLALO-KGLIPLIRSA-N. The full InChI is InChI=1S/C14H21NO2/c1-2-16-17-11-13-9-6-10-14(15-13)12-7-4-3-5-8-12/h3-5,7-8,13-15H,2,6,9-11H2,1H3/t13-,14+/m1/s1.
What are the key properties of (2R,6S)-2-(ethylperoxymethyl)-6-phenylpiperidine?
(2R,6S)-2-(ethylperoxymethyl)-6-phenylpiperidine has a molecular weight of 235.33 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2-(ethylperoxymethyl)-6-phenylpiperidine is sourced from PubChem (CID 45489899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).