4-[(2H5)phenyl(phenyl)methoxy]piperidine

• ChemBase ID: 166143
• Molecular Formular: C18H21NO
• Molecular Mass: 267.36544
• Monoisotopic Mass: 267.1623143
• SMILES: c1ccc(cc1)C(c1ccccc1)OC1CCNCC1
• Canonical SMILES: N1CCC(CC1)OC(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C18H21NO/c1-3-7-15(8-4-1)18(16-9-5-2-6-10-16)20-17-11-13-19-14-12-17/h1-10,17-19H,11-14H2
• InChIKey: OQAOREVBRZVXDS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(^2H₅)phenyl(phenyl)methoxy]piperidine
• IUPAC Traditional name: 4-[(^2H₅)phenyl(phenyl)methoxy]piperidine
• Synonyms: 4-(Diphenylmethoxy-d5)piperidine; 4-(Benzhydryloxy-d5)piperidine; Desalkyl Ebastine-d5

Database IDs

• PubChem SID: 162260276
• PubChem CID: 46781117

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.057089265
• LogD (pH = 7.4): 0.74554557
• Log P: 3.277021
• Molar Refractivity: 82.0643 cm^3
• Polarizability: 32.53342 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane
• Apperance: Low Melting Light-Brown Solid

Safety Information

• Storage Condition: Refrigerator

DETAILS

Toronto Research Chemicals - D288772

A labelled metabolite of Ebastine.

REFERENCES

• Wiseman, L., et al.: Drugs, 51, 260 (1996)
• Takanori, H., et al.: Drug Metab. Dispos., 26, 566 (1996)
• Moss, A., et al.: Clin. Exp. Allergy 1999, 29, 200 (1996)
• Simons, F., et al.: Clin. Pharmacokinet., 36, 329 (1996)
• Hashizume, T., et al.: J. Pharmacol