(2R)-2-(naphthalen-1-yl)piperazine

• ChemBase ID: 807887
• Molecular Formular: C14H16N2
• Molecular Mass: 212.29024
• Monoisotopic Mass: 212.13134852
• SMILES: [C@H]1(CNCCN1)c1c2ccccc2ccc1
• Canonical SMILES: C1CN[C@@H](CN1)c1cccc2c1cccc2
• InChI: InChI=1S/C14H16N2/c1-2-6-12-11(4-1)5-3-7-13(12)14-10-15-8-9-16-14/h1-7,14-16H,8-10H2/t14-/m0/s1
• InChIKey: HACZVIMLSOTUBM-AWEZNQCLSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-(naphthalen-1-yl)piperazine
• IUPAC Traditional name: (2R)-2-(naphthalen-1-yl)piperazine
• Synonyms: (R)-2-NAPHTHALEN-1-YL-PIPERAZINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.1647673
• LogD (pH = 7.4): 0.21593024
• Log P: 2.0449102
• Molar Refractivity: 66.1818 cm^3
• Polarizability: 27.678034 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%