1-(thiophene-2-carbonyl)piperidin-3-amine

• ChemBase ID: 308382
• Molecular Formular: C10H14N2OS
• Molecular Mass: 210.29596
• Monoisotopic Mass: 210.08268408
• SMILES: N1(C(=O)c2sccc2)CC(N)CCC1
• Canonical SMILES: NC1CCCN(C1)C(=O)c1cccs1
• InChI: InChI=1S/C10H14N2OS/c11-8-3-1-5-12(7-8)10(13)9-4-2-6-14-9/h2,4,6,8H,1,3,5,7,11H2
• InChIKey: RVHUZQWAQLXOEQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(thiophene-2-carbonyl)piperidin-3-amine
• IUPAC Traditional name: 1-(thiophene-2-carbonyl)piperidin-3-amine
• Synonyms: 1-(2-thienylcarbonyl)-3-piperidinamine

Database IDs

• CAS Number: 1114596-44-9
• MDL Number: MFCD11053966

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.1267023
• LogD (pH = 7.4): -1.1250918
• Log P: 0.85270035
• Molar Refractivity: 56.9807 cm^3
• Polarizability: 21.84916 Å^3
• Polar Surface Area: 46.33 Å^2