1-(thiophen-2-yl)piperazine

• ChemBase ID: 69239
• Molecular Formular: C8H12N2S
• Molecular Mass: 168.25928
• Monoisotopic Mass: 168.07211939
• SMILES: N1(CCNCC1)c1cccs1
• Canonical SMILES: N1CCN(CC1)c1cccs1
• InChI: InChI=1S/C8H12N2S/c1-2-8(11-7-1)10-5-3-9-4-6-10/h1-2,7,9H,3-6H2
• InChIKey: ANGVDUJFWRWPCE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(thiophen-2-yl)piperazine
• IUPAC Traditional name: 1-(thiophen-2-yl)piperazine
• Synonyms: 1-(Thiophen-2-yl)piperazine

Database IDs

• CAS Number: 108768-19-0
• MDL Number: MFCD11872772
• PubChem SID: 162034967
• PubChem CID: 21950130

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.4671808
• LogD (pH = 7.4): 0.101598695
• Log P: 1.4917992
• Molar Refractivity: 47.5077 cm^3
• Polarizability: 18.272982 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.352

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%; 98%