1-ethyl-3-phenylpiperazine

• ChemBase ID: 116912
• Molecular Formular: C12H18N2
• Molecular Mass: 190.28472
• Monoisotopic Mass: 190.14699859
• SMILES: N1(CC(NCC1)c1ccccc1)CC
• Canonical SMILES: CCN1CCNC(C1)c1ccccc1
• InChI: InChI=1S/C12H18N2/c1-2-14-9-8-13-12(10-14)11-6-4-3-5-7-11/h3-7,12-13H,2,8-10H2,1H3
• InChIKey: ZXXIJMDIMFENGA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-3-phenylpiperazine
• IUPAC Traditional name: 1-ethyl-3-phenylpiperazine
• Synonyms: 1-ethyl-3-phenylpiperazine

Database IDs

• MDL Number: MFCD19301821
• PubChem SID: 162101836
• PubChem CID: 12229101

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.3531834
• LogD (pH = 7.4): 0.1697959
• Log P: 1.7952893
• Molar Refractivity: 59.7749 cm^3
• Polarizability: 23.752666 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 1.674

Product Information

• Purity: 95+%