N-(4-methyl-1,3-thiazol-2-yl)piperidin-4-amine dihydrochloride

• ChemBase ID: 269107
• Molecular Formular: C9H17Cl2N3S
• Molecular Mass: 270.22238
• Monoisotopic Mass: 269.05202392
• SMILES: c1(nc(cs1)C)NC1CCNCC1.Cl.Cl
• Canonical SMILES: Cc1csc(n1)NC1CCNCC1.Cl.Cl
• InChI: InChI=1S/C9H15N3S.2ClH/c1-7-6-13-9(11-7)12-8-2-4-10-5-3-8;;/h6,8,10H,2-5H2,1H3,(H,11,12);2*1H
• InChIKey: JIZAZJGDPPUYAG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-methyl-1,3-thiazol-2-yl)piperidin-4-amine dihydrochloride
• IUPAC Traditional name: N-(4-methyl-1,3-thiazol-2-yl)piperidin-4-amine dihydrochloride
• Synonyms: N-(4-methyl-1,3-thiazol-2-yl)piperidin-4-amine dihydrochloride

Database IDs

• MDL Number: MFCD16817494
• PubChem SID: 164325017
• PubChem CID: 50988320

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.6622555
• LogD (pH = 7.4): -1.9313285
• Log P: 0.5641951
• Molar Refractivity: 55.6814 cm^3
• Polarizability: 21.002537 Å^3
• Polar Surface Area: 36.95 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• Acid pKa: 15.491566

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.144

Product Information

• Purity: 95%