2-(piperidin-4-ylsulfanyl)pyridine

• ChemBase ID: 812011
• Molecular Formular: C10H14N2S
• Molecular Mass: 194.29656
• Monoisotopic Mass: 194.08776946
• SMILES: n1c(cccc1)SC1CCNCC1
• Canonical SMILES: N1CCC(CC1)Sc1ccccn1
• InChI: InChI=1S/C10H14N2S/c1-2-6-12-10(3-1)13-9-4-7-11-8-5-9/h1-3,6,9,11H,4-5,7-8H2
• InChIKey: PQNPFWYEMJMDTQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(piperidin-4-ylsulfanyl)pyridine
• IUPAC Traditional name: 2-(piperidin-4-ylsulfanyl)pyridine
• Synonyms: 2-(PIPERIDIN-4-YLSULFANYL)-PYRIDINE

Database IDs

• CAS Number: 99202-33-2

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.8045329
• LogD (pH = 7.4): -1.0569817
• Log P: 1.4144503
• Molar Refractivity: 57.2283 cm^3
• Polarizability: 22.504879 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%