4-(thiophen-3-yl)piperidine

• ChemBase ID: 117194
• Molecular Formular: C9H13NS
• Molecular Mass: 167.27122
• Monoisotopic Mass: 167.07687042
• SMILES: c1(cscc1)C1CCNCC1
• Canonical SMILES: N1CCC(CC1)c1cscc1
• InChI: InChI=1S/C9H13NS/c1-4-10-5-2-8(1)9-3-6-11-7-9/h3,6-8,10H,1-2,4-5H2
• InChIKey: KTOGEYCNOXECIU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(thiophen-3-yl)piperidine
• IUPAC Traditional name: 4-(thiophen-3-yl)piperidine
• Synonyms: 4-(3-thienyl)piperidine

Database IDs

• MDL Number: MFCD17485220
• PubChem SID: 162102635
• PubChem CID: 19847314

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.3607911
• LogD (pH = 7.4): -0.66648185
• Log P: 1.8587527
• Molar Refractivity: 48.5848 cm^3
• Polarizability: 18.897125 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 0.725

Product Information

• Purity: 95+%