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

• ChemBase ID: 20714
• Molecular Formular: C16H19NO
• Molecular Mass: 241.32816
• Monoisotopic Mass: 241.14666423
• SMILES: N1CC(COc2cc3c(cc2)cccc3)CCC1
• Canonical SMILES: C1CCC(CN1)COc1ccc2c(c1)cccc2
• InChI: InChI=1S/C16H19NO/c1-2-6-15-10-16(8-7-14(15)5-1)18-12-13-4-3-9-17-11-13/h1-2,5-8,10,13,17H,3-4,9,11-12H2
• InChIKey: ZEKZSUIMQDHJKA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(naphthalen-2-yloxy)methyl]piperidine
• IUPAC Traditional name: 3-[(naphthalen-2-yloxy)methyl]piperidine
• Synonyms: 3-[(2-Naphthyloxy)methyl]piperidine

Database IDs

• MDL Number: MFCD08688429
• PubChem SID: 160984021
• PubChem CID: 43823227

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.27092025
• LogD (pH = 7.4): 0.38666698
• Log P: 2.950967
• Molar Refractivity: 73.847 cm^3
• Polarizability: 30.4607 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