1-pentylpiperazine

• ChemBase ID: 26834
• Molecular Formular: C9H20N2
• Molecular Mass: 156.2685
• Monoisotopic Mass: 156.16264865
• SMILES: N1(CCCCC)CCNCC1
• Canonical SMILES: CCCCCN1CCNCC1
• InChI: InChI=1S/C9H20N2/c1-2-3-4-7-11-8-5-10-6-9-11/h10H,2-9H2,1H3
• InChIKey: MJWWNBHUIIRNDZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-pentylpiperazine
• IUPAC Traditional name: 1-pentylpiperazine
• Synonyms: 1-(1-Pentyl)piperazine; 1-Pentylpiperazine

Database IDs

• CAS Number: 50866-75-6
• MDL Number: MFCD02093555
• PubChem SID: 160990141
• PubChem CID: 2737112

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.1094563
• LogD (pH = 7.4): -0.8114445
• Log P: 1.4227087
• Molar Refractivity: 49.2181 cm^3
• Polarizability: 19.657892 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false