(2S)-2-[(naphthalen-1-yl)methyl]piperazine

• ChemBase ID: 808056
• Molecular Formular: C15H18N2
• Molecular Mass: 226.31682
• Monoisotopic Mass: 226.14699859
• SMILES: [C@@H]1(CNCCN1)Cc1c2ccccc2ccc1
• Canonical SMILES: C1CN[C@H](CN1)Cc1cccc2c1cccc2
• InChI: InChI=1S/C15H18N2/c1-2-7-15-12(4-1)5-3-6-13(15)10-14-11-16-8-9-17-14/h1-7,14,16-17H,8-11H2/t14-/m0/s1
• InChIKey: RJTSHYVBYRKWLO-AWEZNQCLSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-[(naphthalen-1-yl)methyl]piperazine
• IUPAC Traditional name: (2S)-2-(naphthalen-1-ylmethyl)piperazine
• Synonyms: (S)-2-NAPHTHALEN-1-YLMETHYL-PIPERAZINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.95849633
• LogD (pH = 7.4): 0.36003518
• Log P: 2.3335714
• Molar Refractivity: 70.9368 cm^3
• Polarizability: 29.442537 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%