1-[(S)-phenyl(piperidin-1-yl)methyl]naphthalen-2-ol

• ChemBase ID: 812278
• Molecular Formular: C22H23NO
• Molecular Mass: 317.42412
• Monoisotopic Mass: 317.17796436
• SMILES: c1cc2c(cc1)ccc(c2[C@@H](N1CCCCC1)c1ccccc1)O
• Canonical SMILES: Oc1ccc2c(c1[C@H](c1ccccc1)N1CCCCC1)cccc2
• InChI: InChI=1S/C22H23NO/c24-20-14-13-17-9-5-6-12-19(17)21(20)22(18-10-3-1-4-11-18)23-15-7-2-8-16-23/h1,3-6,9-14,22,24H,2,7-8,15-16H2/t22-/m0/s1
• InChIKey: RJMSVDFLOXQKOO-QFIPXVFZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(S)-phenyl(piperidin-1-yl)methyl]naphthalen-2-ol
• IUPAC Traditional name: 1-[(S)-phenyl(piperidin-1-yl)methyl]naphthalen-2-ol
• Synonyms: 1-((S)-PHENYL(PIPERIDIN-1-YL)METHYL)NAPHTHALEN-2-OL

Database IDs

• CAS Number: 500352-92-1

CALCULATED PROPERTIES

• Acid pKa: 7.7201633
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.9922583
• LogD (pH = 7.4): 3.3866115
• Log P: 3.8437464
• Molar Refractivity: 99.4566 cm^3
• Polarizability: 40.02227 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%