4-(1,3-thiazol-2-yl)piperidine

• ChemBase ID: 267356
• Molecular Formular: C8H12N2S
• Molecular Mass: 168.25928
• Monoisotopic Mass: 168.07211939
• SMILES: c1(nccs1)C1CCNCC1
• Canonical SMILES: N1CCC(CC1)c1nccs1
• InChI: InChI=1S/C8H12N2S/c1-3-9-4-2-7(1)8-10-5-6-11-8/h5-7,9H,1-4H2
• InChIKey: GSIVGTATVPTMSM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(1,3-thiazol-2-yl)piperidine
• IUPAC Traditional name: 4-(1,3-thiazol-2-yl)piperidine
• Synonyms: 4-(1,3-thiazol-2-yl)piperidine; 4-THIAZOL-2-YL-PIPERIDINE

Database IDs

• CAS Number: 788822-03-7
• MDL Number: MFCD09891547
• PubChem SID: 164323266
• PubChem CID: 24261825

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.3531775
• LogD (pH = 7.4): -1.5391861
• Log P: 0.8586812
• Molar Refractivity: 46.1387 cm^3
• Polarizability: 18.026682 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.687

Product Information

• Purity: 95%; 98%