2-[(naphthalen-2-yloxy)methyl]piperidine

• ChemBase ID: 21184
• Molecular Formular: C16H19NO
• Molecular Mass: 241.32816
• Monoisotopic Mass: 241.14666423
• SMILES: N1C(COc2cc3c(cc2)cccc3)CCCC1
• Canonical SMILES: C1CCC(NC1)COc1ccc2c(c1)cccc2
• InChI: InChI=1S/C16H19NO/c1-2-6-14-11-16(9-8-13(14)5-1)18-12-15-7-3-4-10-17-15/h1-2,5-6,8-9,11,15,17H,3-4,7,10,12H2
• InChIKey: PEEWGYRFMHANGE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(naphthalen-2-yloxy)methyl]piperidine
• IUPAC Traditional name: 2-[(naphthalen-2-yloxy)methyl]piperidine
• Synonyms: 2-[(2-Naphthyloxy)methyl]piperidine

Database IDs

• MDL Number: MFCD02663632
• PubChem SID: 160984491
• PubChem CID: 43823228

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.16975035
• LogD (pH = 7.4): 1.2192124
• Log P: 3.3507812
• Molar Refractivity: 73.508 cm^3
• Polarizability: 30.460651 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