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

• ChemBase ID: 272320
• Molecular Formular: C14H17ClN2S
• Molecular Mass: 280.81618
• Monoisotopic Mass: 280.08009723
• SMILES: n1c(scc1c1ccccc1)C1CCNCC1.Cl
• Canonical SMILES: N1CCC(CC1)c1scc(n1)c1ccccc1.Cl
• InChI: InChI=1S/C14H16N2S.ClH/c1-2-4-11(5-3-1)13-10-17-14(16-13)12-6-8-15-9-7-12;/h1-5,10,12,15H,6-9H2;1H
• InChIKey: RRVUOKZTPNIIJR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-phenyl-1,3-thiazol-2-yl)piperidine hydrochloride
• IUPAC Traditional name: 4-(4-phenyl-1,3-thiazol-2-yl)piperidine hydrochloride
• Synonyms: 4-(4-phenyl-1,3-thiazol-2-yl)piperidine hydrochloride

Database IDs

• MDL Number: MFCD18380648
• PubChem SID: 164328230
• PubChem CID: 50988051

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.3185275
• LogD (pH = 7.4): 0.4967158
• Log P: 2.891757
• Molar Refractivity: 70.9029 cm^3
• Polarizability: 29.009993 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 204 - 206°C
• Hydrophobicity(logP): 2.785

Product Information

• Purity: 95%