4-[(naphthalen-1-yloxy)methyl]piperidine

• ChemBase ID: 20800
• Molecular Formular: C16H19NO
• Molecular Mass: 241.32816
• Monoisotopic Mass: 241.14666423
• SMILES: c12c(OCC3CCNCC3)cccc1cccc2
• Canonical SMILES: N1CCC(CC1)COc1cccc2c1cccc2
• InChI: InChI=1S/C16H19NO/c1-2-6-15-14(4-1)5-3-7-16(15)18-12-13-8-10-17-11-9-13/h1-7,13,17H,8-12H2
• InChIKey: DZLIUBRSCXZJIL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(naphthalen-1-yloxy)methyl]piperidine
• IUPAC Traditional name: 4-[(naphthalen-1-yloxy)methyl]piperidine
• Synonyms: 4-[(1-Naphthyloxy)methyl]piperidine

Database IDs

• MDL Number: MFCD06248555
• PubChem SID: 160984107
• PubChem CID: 24700096

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.32201064
• LogD (pH = 7.4): 0.13876016
• Log P: 2.9094102
• Molar Refractivity: 73.9458 cm^3
• Polarizability: 30.464697 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