1-cyclopropyl-3-(thiophen-2-yl)piperazine

• ChemBase ID: 116953
• Molecular Formular: C11H16N2S
• Molecular Mass: 208.32314
• Monoisotopic Mass: 208.10341952
• SMILES: N1(C2CC2)CC(c2sccc2)NCC1
• Canonical SMILES: C1CN(CC(N1)c1cccs1)C1CC1
• InChI: InChI=1S/C11H16N2S/c1-2-11(14-7-1)10-8-13(6-5-12-10)9-3-4-9/h1-2,7,9-10,12H,3-6,8H2
• InChIKey: ZYJHIMYDBNPLEH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopropyl-3-(thiophen-2-yl)piperazine
• IUPAC Traditional name: 1-cyclopropyl-3-(thiophen-2-yl)piperazine
• Synonyms: 1-cyclopropyl-3-(2-thienyl)piperazine

Database IDs

• MDL Number: MFCD21091952
• PubChem SID: 162101767
• PubChem CID: 66523636

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.088609
• LogD (pH = 7.4): 0.61290383
• Log P: 1.8169272
• Molar Refractivity: 59.1274 cm^3
• Polarizability: 23.461946 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 1.166

Product Information

• Purity: 95+%