4-(4-phenoxyphenyl)piperidine

• ChemBase ID: 812015
• Molecular Formular: C17H19NO
• Molecular Mass: 253.33886
• Monoisotopic Mass: 253.14666423
• SMILES: C1(CCNCC1)c1ccc(cc1)Oc1ccccc1
• Canonical SMILES: N1CCC(CC1)c1ccc(cc1)Oc1ccccc1
• InChI: InChI=1S/C17H19NO/c1-2-4-16(5-3-1)19-17-8-6-14(7-9-17)15-10-12-18-13-11-15/h1-9,15,18H,10-13H2
• InChIKey: MTMOLUVQNWNTBV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-phenoxyphenyl)piperidine
• IUPAC Traditional name: 4-(4-phenoxyphenyl)piperidine
• Synonyms: 4-(4-PHENOXY-PHENYL)-PIPERIDINE

Database IDs

• CAS Number: 181207-55-6

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.35614175
• LogD (pH = 7.4): 1.0042892
• Log P: 3.578598
• Molar Refractivity: 77.7198 cm^3
• Polarizability: 30.634417 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%