2-propylpiperazine

• ChemBase ID: 236215
• Molecular Formular: C7H16N2
• Molecular Mass: 128.21534
• Monoisotopic Mass: 128.13134852
• SMILES: N1C(CNCC1)CCC
• Canonical SMILES: CCCC1CNCCN1
• InChI: InChI=1S/C7H16N2/c1-2-3-7-6-8-4-5-9-7/h7-9H,2-6H2,1H3
• InChIKey: FNJWLOHHZVGUIX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-propylpiperazine
• IUPAC Traditional name: piperidine, 3-propyl-,
• Synonyms: 2-propylpiperazine

Database IDs

• MDL Number: MFCD18072983
• PubChem SID: 164292125
• PubChem CID: 11252015

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.7859724
• LogD (pH = 7.4): -1.6039283
• Log P: 0.65485924
• Molar Refractivity: 38.9926 cm^3
• Polarizability: 15.965017 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 59 - 61°C
• Hydrophobicity(logP): 0.093

Product Information

• Purity: 95%