(2R)-2-[(naphthalen-2-yl)methyl]piperazine

• ChemBase ID: 808060
• Molecular Formular: C15H18N2
• Molecular Mass: 226.31682
• Monoisotopic Mass: 226.14699859
• SMILES: [C@H]1(CNCCN1)Cc1ccc2c(cccc2)c1
• Canonical SMILES: C1CN[C@@H](CN1)Cc1ccc2c(c1)cccc2
• InChI: InChI=1S/C15H18N2/c1-2-4-14-9-12(5-6-13(14)3-1)10-15-11-16-7-8-17-15/h1-6,9,15-17H,7-8,10-11H2/t15-/m1/s1
• InChIKey: KCXBZVOSBQGVTQ-OAHLLOKOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-[(naphthalen-2-yl)methyl]piperazine
• IUPAC Traditional name: (2R)-2-(naphthalen-2-ylmethyl)piperazine
• Synonyms: (R)-2-NAPHTHALEN-2-YLMETHYL-PIPERAZINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.92798066
• LogD (pH = 7.4): 0.41527978
• Log P: 2.3335714
• Molar Refractivity: 70.9368 cm^3
• Polarizability: 29.441828 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%