4-(2-phenylphenoxymethyl)piperidine

• ChemBase ID: 20766
• Molecular Formular: C18H21NO
• Molecular Mass: 267.36544
• Monoisotopic Mass: 267.1623143
• SMILES: c1(c(OCC2CCNCC2)cccc1)c1ccccc1
• Canonical SMILES: N1CCC(CC1)COc1ccccc1c1ccccc1
• InChI: InChI=1S/C18H21NO/c1-2-6-16(7-3-1)17-8-4-5-9-18(17)20-14-15-10-12-19-13-11-15/h1-9,15,19H,10-14H2
• InChIKey: GIUZGBNKXKPNHV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-phenylphenoxymethyl)piperidine
• IUPAC Traditional name: 4-(2-phenylphenoxymethyl)piperidine
• Synonyms: 4-[([1,1'-Biphenyl]-2-yloxy)methyl]piperidine

Database IDs

• MDL Number: MFCD06245983
• PubChem SID: 160984073
• PubChem CID: 26191037

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.33573797
• LogD (pH = 7.4): 0.7965088
• Log P: 3.567159
• Molar Refractivity: 82.6318 cm^3
• Polarizability: 33.93072 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false