2-[2-(naphthalen-1-yloxy)ethyl]piperidine

• ChemBase ID: 21128
• Molecular Formular: C17H21NO
• Molecular Mass: 255.35474
• Monoisotopic Mass: 255.1623143
• SMILES: c12c(OCCC3NCCCC3)cccc1cccc2
• Canonical SMILES: C1CCC(NC1)CCOc1cccc2c1cccc2
• InChI: InChI=1S/C17H21NO/c1-2-9-16-14(6-1)7-5-10-17(16)19-13-11-15-8-3-4-12-18-15/h1-2,5-7,9-10,15,18H,3-4,8,11-13H2
• InChIKey: GBJFYVRQODIXHX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(naphthalen-1-yloxy)ethyl]piperidine
• IUPAC Traditional name: 2-[2-(naphthalen-1-yloxy)ethyl]piperidine
• Synonyms: 2-[2-(1-Naphthyloxy)ethyl]piperidine

Database IDs

• MDL Number: MFCD08688423
• PubChem SID: 160984435
• PubChem CID: 43149993

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.18520612
• LogD (pH = 7.4): 0.7781088
• Log P: 3.4107409
• Molar Refractivity: 78.3734 cm^3
• Polarizability: 32.31165 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false