1-cyclopropyl-3-(2-fluorophenyl)piperazine

• ChemBase ID: 116982
• Molecular Formular: C13H17FN2
• Molecular Mass: 220.2858832
• Monoisotopic Mass: 220.13757677
• SMILES: N1(C2CC2)CC(c2c(F)cccc2)NCC1
• Canonical SMILES: Fc1ccccc1C1NCCN(C1)C1CC1
• InChI: InChI=1S/C13H17FN2/c14-12-4-2-1-3-11(12)13-9-16(8-7-15-13)10-5-6-10/h1-4,10,13,15H,5-9H2
• InChIKey: RIBQZXKPGOLJEX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopropyl-3-(2-fluorophenyl)piperazine
• IUPAC Traditional name: 1-cyclopropyl-3-(2-fluorophenyl)piperazine
• Synonyms: 1-cyclopropyl-3-(2-fluorophenyl)piperazine

Database IDs

• MDL Number: MFCD21091961
• PubChem SID: 162102124
• PubChem CID: 66523651

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.49582288
• LogD (pH = 7.4): 1.2651428
• Log P: 2.0467477
• Molar Refractivity: 62.4539 cm^3
• Polarizability: 24.458145 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 2.137

Product Information

• Purity: 95+%