4-(thiophen-2-yl)piperidine

• ChemBase ID: 34580
• Molecular Formular: C9H13NS
• Molecular Mass: 167.27122
• Monoisotopic Mass: 167.07687042
• SMILES: C1NCCC(C1)c1sccc1
• Canonical SMILES: N1CCC(CC1)c1cccs1
• InChI: InChI=1S/C9H13NS/c1-2-9(11-7-1)8-3-5-10-6-4-8/h1-2,7-8,10H,3-6H2
• InChIKey: SLQVNTKKWCOXKW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(thiophen-2-yl)piperidine
• IUPAC Traditional name: 4-(thiophen-2-yl)piperidine
• Synonyms: 4-Thien-2-ylpiperidine; 4-(2-thienyl)piperidine

Database IDs

• CAS Number: 198334-38-2
• MDL Number: MFCD12027113
• PubChem SID: 160997887
• PubChem CID: 19095574

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.2252342
• LogD (pH = 7.4): -0.48673078
• Log P: 1.9911921
• Molar Refractivity: 48.4459 cm^3
• Polarizability: 18.900667 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false