1-(nonan-5-yl)piperazine

• ChemBase ID: 74345
• Molecular Formular: C13H28N2
• Molecular Mass: 212.37482
• Monoisotopic Mass: 212.22524891
• SMILES: N1(CCNCC1)C(CCCC)CCCC
• Canonical SMILES: CCCCC(N1CCNCC1)CCCC
• InChI: InChI=1S/C13H28N2/c1-3-5-7-13(8-6-4-2)15-11-9-14-10-12-15/h13-14H,3-12H2,1-2H3
• InChIKey: CZWMOMPWEKTUJW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(nonan-5-yl)piperazine
• IUPAC Traditional name: 1-(nonan-5-yl)piperazine
• Synonyms: 1-(5-Nonyl)piperazine

Database IDs

• MDL Number: MFCD03412116
• PubChem SID: 162039264
• PubChem CID: 2760244

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.20219232
• LogD (pH = 7.4): 0.5755
• Log P: 3.2509434
• Molar Refractivity: 67.3629 cm^3
• Polarizability: 27.04461 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant