1-(4-methylpentan-2-yl)piperazine

• ChemBase ID: 306459
• Molecular Formular: C10H22N2
• Molecular Mass: 170.29508
• Monoisotopic Mass: 170.17829871
• SMILES: N1(C(CC(C)C)C)CCNCC1
• Canonical SMILES: CC(N1CCNCC1)CC(C)C
• InChI: InChI=1S/C10H22N2/c1-9(2)8-10(3)12-6-4-11-5-7-12/h9-11H,4-8H2,1-3H3
• InChIKey: UAUWDLCUDIOLQP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-methylpentan-2-yl)piperazine
• IUPAC Traditional name: 1-(4-methylpentan-2-yl)piperazine
• Synonyms: 1-(1,3-dimethylbutyl)piperazine

Database IDs

• CAS Number: 1171587-00-0
• MDL Number: MFCD12164655

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.7482945
• LogD (pH = 7.4): -0.8878933
• Log P: 1.6817342
• Molar Refractivity: 53.5845 cm^3
• Polarizability: 21.50448 Å^3
• Polar Surface Area: 15.27 Å^2