(2S)-2-phenylpiperazine

• ChemBase ID: 810528
• Molecular Formular: C10H14N2
• Molecular Mass: 162.23156
• Monoisotopic Mass: 162.11569846
• SMILES: [C@@H]1(CNCCN1)c1ccccc1
• Canonical SMILES: N1CCN[C@H](C1)c1ccccc1
• InChI: InChI=1S/C10H14N2/c1-2-4-9(5-3-1)10-8-11-6-7-12-10/h1-5,10-12H,6-8H2/t10-/m1/s1
• InChIKey: RIMRLBGNCLMSNH-SNVBAGLBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-phenylpiperazine
• IUPAC Traditional name: (2S)-2-phenylpiperazine
• Synonyms: (2S)-2-PHENYLPIPERAZINE

Database IDs

• CAS Number: 137766-74-6

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.0731115
• LogD (pH = 7.4): -0.6082303
• Log P: 1.0554334
• Molar Refractivity: 49.7316 cm^3
• Polarizability: 20.058712 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%