3-[({1-[(E)-2-phenyldiazen-1-yl]naphthalen-2-yl}oxy)methyl]piperidine

• ChemBase ID: 20712
• Molecular Formular: C22H23N3O
• Molecular Mass: 345.43752
• Monoisotopic Mass: 345.18411237
• SMILES: c1(/N=N/c2ccccc2)c2c(ccc1OCC1CNCCC1)cccc2
• Canonical SMILES: C1CCC(CN1)COc1ccc2c(c1/N=N/c1ccccc1)cccc2
• InChI: InChI=1S/C22H23N3O/c1-2-9-19(10-3-1)24-25-22-20-11-5-4-8-18(20)12-13-21(22)26-16-17-7-6-14-23-15-17/h1-5,8-13,17,23H,6-7,14-16H2/b25-24+
• InChIKey: ZQHRCSGRGBEING-OCOZRVBESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[({1-[(E)-2-phenyldiazen-1-yl]naphthalen-2-yl}oxy)methyl]piperidine
• IUPAC Traditional name: 3-[({1-[(E)-2-phenyldiazen-1-yl]naphthalen-2-yl}oxy)methyl]piperidine
• Synonyms: 3-[({1-[(E)-2-Phenyldiazenyl]-2-naphthyl}oxy)-methyl]piperidine

Database IDs

• MDL Number: MFCD08688476
• PubChem SID: 160984019
• PubChem CID: 45075339

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.1349726
• LogD (pH = 7.4): 2.792561
• Log P: 5.3568606
• Molar Refractivity: 108.166 cm^3
• Polarizability: 41.675003 Å^3
• Polar Surface Area: 45.98 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false