1,4-bis(thiophene-2-carbonyl)piperazine hydrochloride

• ChemBase ID: 14662
• Molecular Formular: C14H15ClN2O2S2
• Molecular Mass: 342.8641
• Monoisotopic Mass: 342.02634741
• SMILES: C1N(CCN(C1)C(=O)c1cccs1)C(=O)c1cccs1.Cl
• Canonical SMILES: O=C(c1cccs1)N1CCN(CC1)C(=O)c1cccs1.Cl
• InChI: InChI=1S/C14H14N2O2S2.ClH/c17-13(11-3-1-9-19-11)15-5-7-16(8-6-15)14(18)12-4-2-10-20-12;/h1-4,9-10H,5-8H2;1H
• InChIKey: ZMGWCZBSIZMVFH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-bis(thiophene-2-carbonyl)piperazine hydrochloride
• IUPAC Traditional name: 1,4-bis(thiophene-2-carbonyl)piperazine hydrochloride
• Synonyms: [4-(Thiophene-2-carbonyl)-piperazin-1-yl]-thiophen-2-yl-methanone hydrochloride

Database IDs

• MDL Number: MFCD06801315
• PubChem SID: 160977969
• PubChem CID: 45074887

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.0251894
• LogD (pH = 7.4): 2.0251894
• Log P: 2.0251894
• Molar Refractivity: 79.7014 cm^3
• Polarizability: 29.649792 Å^3
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false