1-(thiophene-2-carbonyl)piperidin-4-amine

• ChemBase ID: 28448
• Molecular Formular: C10H14N2OS
• Molecular Mass: 210.29596
• Monoisotopic Mass: 210.08268408
• SMILES: C(=O)(N1CCC(CC1)N)c1sccc1
• Canonical SMILES: NC1CCN(CC1)C(=O)c1cccs1
• InChI: InChI=1S/C10H14N2OS/c11-8-3-5-12(6-4-8)10(13)9-2-1-7-14-9/h1-2,7-8H,3-6,11H2
• InChIKey: ZSOZXVDAAMDHHK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(thiophene-2-carbonyl)piperidin-4-amine
• IUPAC Traditional name: 1-(thiophene-2-carbonyl)piperidin-4-amine
• Synonyms: 1-(Thien-2-ylcarbonyl)piperidin-4-amine

Database IDs

• CAS Number: 886497-83-2
• MDL Number: MFCD06740654
• PubChem SID: 160991755
• PubChem CID: 4778219

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.622529
• LogD (pH = 7.4): -2.053587
• Log P: 0.3952974
• Molar Refractivity: 57.2015 cm^3
• Polarizability: 21.84916 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false