4-[({1-[(E)-2-phenyldiazen-1-yl]naphthalen-2-yl}oxy)methyl]piperidine

• ChemBase ID: 20799
• Molecular Formular: C22H23N3O
• Molecular Mass: 345.43752
• Monoisotopic Mass: 345.18411237
• SMILES: c1(/N=N/c2ccccc2)c2c(ccc1OCC1CCNCC1)cccc2
• Canonical SMILES: N1CCC(CC1)COc1ccc2c(c1/N=N/c1ccccc1)cccc2
• InChI: InChI=1S/C22H23N3O/c1-2-7-19(8-3-1)24-25-22-20-9-5-4-6-18(20)10-11-21(22)26-16-17-12-14-23-15-13-17/h1-11,17,23H,12-16H2/b25-24+
• InChIKey: OZQZLTMCDHGVSH-OCOZRVBESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[({1-[(E)-2-phenyldiazen-1-yl]naphthalen-2-yl}oxy)methyl]piperidine
• IUPAC Traditional name: 4-[({1-[(E)-2-phenyldiazen-1-yl]naphthalen-2-yl}oxy)methyl]piperidine
• Synonyms: 4-[({1-[(E)-2-Phenyldiazenyl]-2-naphthyl}oxy)-methyl]piperidine

Database IDs

• MDL Number: MFCD08688477
• PubChem SID: 160984106
• PubChem CID: 26191118

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.083882
• LogD (pH = 7.4): 2.544654
• Log P: 5.315304
• Molar Refractivity: 108.2648 cm^3
• Polarizability: 41.675007 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