4-{[2-methoxy-6-(naphthalen-2-yl)phenyl]methyl}piperidine

• ChemBase ID: 812488
• Molecular Formular: C23H25NO
• Molecular Mass: 331.4507
• Monoisotopic Mass: 331.19361443
• SMILES: C1(CCNCC1)Cc1c(cccc1c1ccc2c(cccc2)c1)OC
• Canonical SMILES: COc1cccc(c1CC1CCNCC1)c1ccc2c(c1)cccc2
• InChI: InChI=1S/C23H25NO/c1-25-23-8-4-7-21(22(23)15-17-11-13-24-14-12-17)20-10-9-18-5-2-3-6-19(18)16-20/h2-10,16-17,24H,11-15H2,1H3
• InChIKey: NAGSMTISQGCVKB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{[2-methoxy-6-(naphthalen-2-yl)phenyl]methyl}piperidine
• IUPAC Traditional name: 4-{[2-methoxy-6-(naphthalen-2-yl)phenyl]methyl}piperidine
• Synonyms: 4-(2-METHOXY-6-NAPHTHALEN-2-YL-BENZYL)-PIPERIDINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.770344
• LogD (pH = 7.4): 2.2272546
• Log P: 5.00191
• Molar Refractivity: 104.1296 cm^3
• Polarizability: 43.321934 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 98%