3-(naphthalen-2-yloxy)piperidine

• ChemBase ID: 20900
• Molecular Formular: C15H17NO
• Molecular Mass: 227.30158
• Monoisotopic Mass: 227.13101417
• SMILES: c12cc(OC3CNCCC3)ccc1cccc2
• Canonical SMILES: C1CCC(CN1)Oc1ccc2c(c1)cccc2
• InChI: InChI=1S/C15H17NO/c1-2-5-13-10-14(8-7-12(13)4-1)17-15-6-3-9-16-11-15/h1-2,4-5,7-8,10,15-16H,3,6,9,11H2
• InChIKey: AFAHCPYVSZXOAZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(naphthalen-2-yloxy)piperidine
• IUPAC Traditional name: 3-(naphthalen-2-yloxy)piperidine
• Synonyms: 2-Naphthyl 3-piperidinyl ether

Database IDs

• MDL Number: MFCD08688440
• PubChem SID: 160984207
• PubChem CID: 45075426

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.26077312
• LogD (pH = 7.4): 0.86436117
• Log P: 2.9062123
• Molar Refractivity: 68.907 cm^3
• Polarizability: 28.613585 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