4-(naphthalen-2-yl)piperidine

• ChemBase ID: 282299
• Molecular Formular: C15H17N
• Molecular Mass: 211.30218
• Monoisotopic Mass: 211.13609955
• SMILES: c1(cc2c(cc1)cccc2)C1CCNCC1
• Canonical SMILES: N1CCC(CC1)c1ccc2c(c1)cccc2
• InChI: InChI=1S/C15H17N/c1-2-4-14-11-15(6-5-12(14)3-1)13-7-9-16-10-8-13/h1-6,11,13,16H,7-10H2
• InChIKey: TXJOHNASMKJWGI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(naphthalen-2-yl)piperidine
• IUPAC Traditional name: 4-(naphthalen-2-yl)piperidine
• Synonyms: 4-(naphthalen-2-yl)piperidine; 4-NAPHTHALEN-2-YL-PIPERIDINE

Database IDs

• CAS Number: 180160-99-0
• MDL Number: MFCD04115005
• PubChem SID: 180667830
• PubChem CID: 22029264

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.15389042
• LogD (pH = 7.4): 0.5071152
• Log P: 3.0677874
• Molar Refractivity: 67.9292 cm^3
• Polarizability: 27.937168 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.517

Product Information

• Purity: 95%; 98%