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

• ChemBase ID: 236130
• Molecular Formular: C8H13ClN2S
• Molecular Mass: 204.72022
• Monoisotopic Mass: 204.04879711
• SMILES: c1(nccs1)C1CCNCC1.Cl
• Canonical SMILES: N1CCC(CC1)c1nccs1.Cl
• InChI: InChI=1S/C8H12N2S.ClH/c1-3-9-4-2-7(1)8-10-5-6-11-8;/h5-7,9H,1-4H2;1H
• InChIKey: PCIPGNRRQSCEEC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD22196521
• PubChem SID: 164292040
• PubChem CID: 68727098

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%