4-(4-bromophenoxy)piperidine

• ChemBase ID: 20967
• Molecular Formular: C11H14BrNO
• Molecular Mass: 256.13896
• Monoisotopic Mass: 255.02587607
• SMILES: N1CCC(Oc2ccc(Br)cc2)CC1
• Canonical SMILES: Brc1ccc(cc1)OC1CCNCC1
• InChI: InChI=1S/C11H14BrNO/c12-9-1-3-10(4-2-9)14-11-5-7-13-8-6-11/h1-4,11,13H,5-8H2
• InChIKey: KELAIWLMVFYRJD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-bromophenoxy)piperidine
• IUPAC Traditional name: 4-(4-bromophenoxy)piperidine
• Synonyms: 4-(4-Bromophenoxy)piperidine; 4-(4-BROMO-PHENOXY)-PIPERIDINE

Database IDs

• CAS Number: 74130-05-5
• MDL Number: MFCD04115016
• PubChem SID: 160984274
• PubChem CID: 12645566

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.9793133
• LogD (pH = 7.4): -0.13499475
• Log P: 2.2280853
• Molar Refractivity: 60.3004 cm^3
• Polarizability: 23.749199 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 98%