(2S)-2-(naphthalen-2-yl)piperazine

• ChemBase ID: 807888
• Molecular Formular: C14H16N2
• Molecular Mass: 212.29024
• Monoisotopic Mass: 212.13134852
• SMILES: [C@@H]1(CNCCN1)c1ccc2c(cccc2)c1
• Canonical SMILES: C1CN[C@H](CN1)c1ccc2c(c1)cccc2
• InChI: InChI=1S/C14H16N2/c1-2-4-12-9-13(6-5-11(12)3-1)14-10-15-7-8-16-14/h1-6,9,14-16H,7-8,10H2/t14-/m1/s1
• InChIKey: DNMNNHMPDTUAFG-CQSZACIVSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.0855478
• LogD (pH = 7.4): 0.38435772
• Log P: 2.0449102
• Molar Refractivity: 66.1818 cm^3
• Polarizability: 27.677113 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%