(2R,5S)-2,5-diethylpiperazine

• ChemBase ID: 806103
• Molecular Formular: C8H18N2
• Molecular Mass: 142.24192
• Monoisotopic Mass: 142.14699859
• SMILES: [C@@H]1(CN[C@@H](CN1)CC)CC
• Canonical SMILES: CC[C@@H]1NC[C@H](NC1)CC
• InChI: InChI=1S/C8H18N2/c1-3-7-5-10-8(4-2)6-9-7/h7-10H,3-6H2,1-2H3/t7-,8+
• InChIKey: JIAOVIBEPXQRNK-OCAPTIKFSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R,5S)-2,5-diethylpiperazine
• IUPAC Traditional name: (2R,5S)-2,5-diethylpiperazine
• Synonyms: (2S,5R)-2,5-DIETHYL-PIPERAZINE

Database IDs

• CAS Number: 6189-24-8

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.4051042
• LogD (pH = 7.4): -1.2706428
• Log P: 1.149388
• Molar Refractivity: 43.3344 cm^3
• Polarizability: 17.811394 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%