1-[2-(thiophen-2-yl)ethyl]piperazine

• ChemBase ID: 34543
• Molecular Formular: C10H16N2S
• Molecular Mass: 196.31244
• Monoisotopic Mass: 196.10341952
• SMILES: C1N(CCNC1)CCc1cccs1
• Canonical SMILES: N1CCN(CC1)CCc1cccs1
• InChI: InChI=1S/C10H16N2S/c1-2-10(13-9-1)3-6-12-7-4-11-5-8-12/h1-2,9,11H,3-8H2
• InChIKey: PAVBVPAOAVNWGK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(thiophen-2-yl)ethyl]piperazine
• IUPAC Traditional name: 1-[2-(thiophen-2-yl)ethyl]piperazine
• Synonyms: 1-(2-Thien-2-ylethyl)piperazine; 1-(2-Thien-2-ylethyl)piperazine 97%; 1-[2-(2-thienyl)ethyl]piperazine; 1-[2-(thiophen-2-yl)ethyl]piperazine

Database IDs

• CAS Number: 461046-73-1
• MDL Number: MFCD01320903
• PubChem SID: 160997850
• PubChem CID: 2737274

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.7199248
• LogD (pH = 7.4): -0.3646074
• Log P: 1.5802568
• Molar Refractivity: 57.1114 cm^3
• Polarizability: 22.269781 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 96-98°C
• Hydrophobicity(logP): 1.335

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 95%