1-heptylpiperazine

• ChemBase ID: 91280
• Molecular Formular: C11H24N2
• Molecular Mass: 184.32166
• Monoisotopic Mass: 184.19394878
• SMILES: N1(CCCCCCC)CCNCC1
• Canonical SMILES: CCCCCCCN1CCNCC1
• InChI: InChI=1S/C11H24N2/c1-2-3-4-5-6-9-13-10-7-12-8-11-13/h12H,2-11H2,1H3
• InChIKey: GFFSNSPNXPELQE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-heptylpiperazine
• IUPAC Traditional name: 1-heptylpiperazine
• Synonyms: 1-(Hept-1-yl)piperazine 97%

Database IDs

• CAS Number: 82502-77-0
• MDL Number: MFCD01075184
• PubChem SID: 162077984
• PubChem CID: 2736510

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.1573209
• LogD (pH = 7.4): 0.17515357
• Log P: 2.311846
• Molar Refractivity: 58.4201 cm^3
• Polarizability: 23.35114 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 106-108°C

Safety Information

• Storage Warning: Irritant