1-benzyl-2-propylpiperazine

• ChemBase ID: 247154
• Molecular Formular: C14H22N2
• Molecular Mass: 218.33788
• Monoisotopic Mass: 218.17829871
• SMILES: N1(Cc2ccccc2)C(CNCC1)CCC
• Canonical SMILES: CCCC1CNCCN1Cc1ccccc1
• InChI: InChI=1S/C14H22N2/c1-2-6-14-11-15-9-10-16(14)12-13-7-4-3-5-8-13/h3-5,7-8,14-15H,2,6,9-12H2,1H3
• InChIKey: KFDXSJIZRCQBIZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzyl-2-propylpiperazine
• IUPAC Traditional name: 1-benzyl-2-propylpiperazine
• Synonyms: 1-benzyl-2-propylpiperazine

Database IDs

• MDL Number: MFCD20427490
• PubChem SID: 164303064
• PubChem CID: 64831569

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.81720024
• LogD (pH = 7.4): 0.47466365
• Log P: 2.7623804
• Molar Refractivity: 68.8999 cm^3
• Polarizability: 27.447319 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.452

Product Information

• Purity: 95%