(2S)-2-(2-phenylethyl)piperazine

• ChemBase ID: 808078
• Molecular Formular: C12H18N2
• Molecular Mass: 190.28472
• Monoisotopic Mass: 190.14699859
• SMILES: [C@@H]1(CNCCN1)CCc1ccccc1
• Canonical SMILES: C1CN[C@H](CN1)CCc1ccccc1
• InChI: InChI=1S/C12H18N2/c1-2-4-11(5-3-1)6-7-12-10-13-8-9-14-12/h1-5,12-14H,6-10H2/t12-/m0/s1
• InChIKey: FRTXUSHWBSBIAT-LBPRGKRZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-(2-phenylethyl)piperazine
• IUPAC Traditional name: (2S)-2-(2-phenylethyl)piperazine
• Synonyms: (S)-2-PHENETHYL-PIPERAZINE

Database IDs

• CAS Number: 612502-28-0

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.5803138
• LogD (pH = 7.4): -0.35133576
• Log P: 1.7886633
• Molar Refractivity: 59.0876 cm^3
• Polarizability: 23.676006 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%