(2S)-2-[(thiophen-2-yl)methyl]piperazine

• ChemBase ID: 808074
• Molecular Formular: C9H14N2S
• Molecular Mass: 182.28586
• Monoisotopic Mass: 182.08776946
• SMILES: [C@@H]1(CNCCN1)Cc1sccc1
• Canonical SMILES: C1CN[C@H](CN1)Cc1cccs1
• InChI: InChI=1S/C9H14N2S/c1-2-9(12-5-1)6-8-7-10-3-4-11-8/h1-2,5,8,10-11H,3-4,6-7H2/t8-/m0/s1
• InChIKey: XDWWJVNQTBXJJF-QMMMGPOBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-[(thiophen-2-yl)methyl]piperazine
• IUPAC Traditional name: (2S)-2-(thiophen-2-ylmethyl)piperazine
• Synonyms: (S)-2-THIOPHEN-2-YLMETHYL-PIPERAZINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.9608608
• LogD (pH = 7.4): -0.5648042
• Log P: 1.2569759
• Molar Refractivity: 51.4869 cm^3
• Polarizability: 20.426973 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%