4-[(1-bromonaphthalen-2-yl)oxy]piperidine

• ChemBase ID: 20983
• Molecular Formular: C15H16BrNO
• Molecular Mass: 306.19764
• Monoisotopic Mass: 305.04152614
• SMILES: c1(c(OC2CCNCC2)ccc2c1cccc2)Br
• Canonical SMILES: Brc1c(ccc2c1cccc2)OC1CCNCC1
• InChI: InChI=1S/C15H16BrNO/c16-15-13-4-2-1-3-11(13)5-6-14(15)18-12-7-9-17-10-8-12/h1-6,12,17H,7-10H2
• InChIKey: GSIXHKDZQMEDES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(1-bromonaphthalen-2-yl)oxy]piperidine
• IUPAC Traditional name: 4-[(1-bromonaphthalen-2-yl)oxy]piperidine
• Synonyms: 4-[(1-Bromo-2-naphthyl)oxy]piperidine

Database IDs

• MDL Number: MFCD08687044
• PubChem SID: 160984290
• PubChem CID: 26191748

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.010163464
• LogD (pH = 7.4): 0.8544825
• Log P: 3.2175622
• Molar Refractivity: 76.7506 cm^3
• Polarizability: 31.172962 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