2-(butan-2-yl)piperazine

• ChemBase ID: 241693
• Molecular Formular: C8H18N2
• Molecular Mass: 142.24192
• Monoisotopic Mass: 142.14699859
• SMILES: N1C(C(CC)C)CNCC1
• Canonical SMILES: CC(C1CNCCN1)CC
• InChI: InChI=1S/C8H18N2/c1-3-7(2)8-6-9-4-5-10-8/h7-10H,3-6H2,1-2H3
• InChIKey: ZENDJDOEMBDKCK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(butan-2-yl)piperazine
• IUPAC Traditional name: 2-(sec-butyl)piperazine
• Synonyms: 2-(butan-2-yl)piperazine

Database IDs

• MDL Number: MFCD20435066
• PubChem SID: 164297603
• PubChem CID: 18460595

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

Physical Property

• Hydrophobicity(logP): 0.492

Product Information

• Purity: 95%