2-[2-(thiophen-2-yl)ethyl]piperidine

• ChemBase ID: 306955
• Molecular Formular: C11H17NS
• Molecular Mass: 195.32438
• Monoisotopic Mass: 195.10817055
• SMILES: s1c(ccc1)CCC1NCCCC1
• Canonical SMILES: C1CCC(NC1)CCc1cccs1
• InChI: InChI=1S/C11H17NS/c1-2-8-12-10(4-1)6-7-11-5-3-9-13-11/h3,5,9-10,12H,1-2,4,6-8H2
• InChIKey: CSBHETWWOASIHR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(thiophen-2-yl)ethyl]piperidine
• IUPAC Traditional name: 2-[2-(thiophen-2-yl)ethyl]piperidine
• Synonyms: 2-[2-(2-thienyl)ethyl]piperidine

Database IDs

• CAS Number: 938458-99-2
• MDL Number: MFCD09055272

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.13943663
• LogD (pH = 7.4): 0.41858155
• Log P: 3.0878391
• Molar Refractivity: 57.5181 cm^3
• Polarizability: 22.588121 Å^3
• Polar Surface Area: 12.03 Å^2