4-phenylpiperazin-1-amine

• ChemBase ID: 240055
• Molecular Formular: C10H15N3
• Molecular Mass: 177.2462
• Monoisotopic Mass: 177.1265975
• SMILES: N1(CCN(CC1)N)c1ccccc1
• Canonical SMILES: NN1CCN(CC1)c1ccccc1
• InChI: InChI=1S/C10H15N3/c11-13-8-6-12(7-9-13)10-4-2-1-3-5-10/h1-5H,6-9,11H2
• InChIKey: DAURIJZNKHAJSE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-phenylpiperazin-1-amine
• IUPAC Traditional name: 4-phenylpiperazin-1-amine
• Synonyms: 4-phenylpiperazin-1-amine

Database IDs

• MDL Number: MFCD07364280
• PubChem SID: 164295965
• PubChem CID: 12762417

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.4786082
• LogD (pH = 7.4): 0.86229044
• Log P: 0.8702196
• Molar Refractivity: 55.7261 cm^3
• Polarizability: 20.972748 Å^3
• Polar Surface Area: 32.5 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.772

Product Information

• Purity: 95%