1-(4-methyl-1,3-thiazole-5-carbonyl)-2-(piperidin-4-yl)piperidine hydrochloride

• ChemBase ID: 62391
• Molecular Formular: C15H24ClN3OS
• Molecular Mass: 329.88856
• Monoisotopic Mass: 329.13286108
• SMILES: c1(C(=O)N2C(C3CCNCC3)CCCC2)c(ncs1)C.Cl
• Canonical SMILES: Cc1ncsc1C(=O)N1CCCCC1C1CCNCC1.Cl
• InChI: InChI=1S/C15H23N3OS.ClH/c1-11-14(20-10-17-11)15(19)18-9-3-2-4-13(18)12-5-7-16-8-6-12;/h10,12-13,16H,2-9H2,1H3;1H
• InChIKey: WTQATZGYHFGWOL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-methyl-1,3-thiazole-5-carbonyl)-2-(piperidin-4-yl)piperidine hydrochloride
• IUPAC Traditional name: 1-(4-methyl-1,3-thiazole-5-carbonyl)-2-(piperidin-4-yl)piperidine hydrochloride
• Synonyms: [2,4']Bipiperidinyl-1-yl-(4-methyl-thiazol-5-yl)-methanone hydrochloride

Database IDs

• MDL Number: MFCD21605961
• PubChem SID: 162028130
• PubChem CID: 71298709

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.012906
• LogD (pH = 7.4): -1.3445821
• Log P: 1.2083328
• Molar Refractivity: 81.3004 cm^3
• Polarizability: 31.209616 Å^3
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false