4-(2-phenylphenoxy)piperidine

• ChemBase ID: 20947
• Molecular Formular: C17H19NO
• Molecular Mass: 253.33886
• Monoisotopic Mass: 253.14666423
• SMILES: c1(c(c2ccccc2)cccc1)OC1CCNCC1
• Canonical SMILES: N1CCC(CC1)Oc1ccccc1c1ccccc1
• InChI: InChI=1S/C17H19NO/c1-2-6-14(7-3-1)16-8-4-5-9-17(16)19-15-10-12-18-13-11-15/h1-9,15,18H,10-13H2
• InChIKey: YXPNJUFYBHASBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD06245999
• PubChem SID: 160984254
• PubChem CID: 17178058

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.100840576
• LogD (pH = 7.4): 0.74347824
• Log P: 3.106558
• Molar Refractivity: 77.8138 cm^3
• Polarizability: 32.08375 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false