1-(3-phenoxyphenyl)piperidine

• ChemBase ID: 292526
• Molecular Formular: C17H19NO
• Molecular Mass: 253.33886
• Monoisotopic Mass: 253.14666423
• SMILES: C1CCN(CC1)c1cc(Oc2ccccc2)ccc1
• Canonical SMILES: C1CCN(CC1)c1cccc(c1)Oc1ccccc1
• InChI: InChI=1S/C17H19NO/c1-3-9-16(10-4-1)19-17-11-7-8-15(14-17)18-12-5-2-6-13-18/h1,3-4,7-11,14H,2,5-6,12-13H2
• InChIKey: VLFRJXNNHHVMJJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-phenoxyphenyl)piperidine
• IUPAC Traditional name: 1-(3-phenoxyphenyl)piperidine
• Synonyms: 1-(3-Phenoxyphenyl)piperidine

Database IDs

• CAS Number: 1135032-28-8
• PubChem SID: 180678057
• PubChem CID: 70701038

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.4041243
• LogD (pH = 7.4): 4.4315815
• Log P: 4.431943
• Molar Refractivity: 78.8694 cm^3
• Polarizability: 30.313614 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%