5-[(4-benzylpiperidin-1-yl)sulfonyl]-2-hydrazinylpyridine

• ChemBase ID: 256152
• Molecular Formular: C17H22N4O2S
• Molecular Mass: 346.44718
• Monoisotopic Mass: 346.14634696
• SMILES: S(=O)(=O)(N1CCC(Cc2ccccc2)CC1)c1cnc(NN)cc1
• Canonical SMILES: NNc1ccc(cn1)S(=O)(=O)N1CCC(CC1)Cc1ccccc1
• InChI: InChI=1S/C17H22N4O2S/c18-20-17-7-6-16(13-19-17)24(22,23)21-10-8-15(9-11-21)12-14-4-2-1-3-5-14/h1-7,13,15H,8-12,18H2,(H,19,20)
• InChIKey: SJKDTPCRTARDKQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[(4-benzylpiperidin-1-yl)sulfonyl]-2-hydrazinylpyridine
• IUPAC Traditional name: 5-(4-benzylpiperidin-1-ylsulfonyl)-2-hydrazinylpyridine
• Synonyms: 5-[(4-benzylpiperidin-1-yl)sulfonyl]-2-hydrazinopyridine

Database IDs

• MDL Number: MFCD09049455
• PubChem SID: 164312062
• PubChem CID: 16777001

CALCULATED PROPERTIES

• Acid pKa: 18.848377
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 2.4845984
• LogD (pH = 7.4): 2.510474
• Log P: 2.5108142
• Molar Refractivity: 97.2592 cm^3
• Polarizability: 37.109554 Å^3
• Polar Surface Area: 88.32 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 185 - 187°C
• Hydrophobicity(logP): 3.117

Product Information

• Purity: 95%