(2S)-2-[(2S)-butan-2-yl]piperazine

• ChemBase ID: 807758
• Molecular Formular: C8H18N2
• Molecular Mass: 142.24192
• Monoisotopic Mass: 142.14699859
• SMILES: [C@@H]1(CNCCN1)[C@@H](C)CC
• Canonical SMILES: C[C@H]([C@H]1CNCCN1)CC
• InChI: InChI=1S/C8H18N2/c1-3-7(2)8-6-9-4-5-10-8/h7-10H,3-6H2,1-2H3/t7-,8+/m0/s1
• InChIKey: ZENDJDOEMBDKCK-JGVFFNPUSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-[(2S)-butan-2-yl]piperazine
• IUPAC Traditional name: (2S)-2-[(2S)-butan-2-yl]piperazine
• Synonyms: (S)-2-((S)-SEC-BUTYL)-PIPERAZINE

Database IDs

• CAS Number: 681484-77-5

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.4620633
• LogD (pH = 7.4): -1.3142655
• Log P: 1.0198321
• Molar Refractivity: 43.4642 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%