2-chloro-4-(piperidin-1-yl)benzohydrazide

• ChemBase ID: 43238
• Molecular Formular: C12H16ClN3O
• Molecular Mass: 253.72794
• Monoisotopic Mass: 253.09818983
• SMILES: c1(c(cc(N2CCCCC2)cc1)Cl)C(=O)NN
• Canonical SMILES: NNC(=O)c1ccc(cc1Cl)N1CCCCC1
• InChI: InChI=1S/C12H16ClN3O/c13-11-8-9(16-6-2-1-3-7-16)4-5-10(11)12(17)15-14/h4-5,8H,1-3,6-7,14H2,(H,15,17)
• InChIKey: CSFNRLGTCJUJFX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-4-(piperidin-1-yl)benzohydrazide
• IUPAC Traditional name: 2-chloro-4-(piperidin-1-yl)benzohydrazide
• Synonyms: 2-Chloro-4-piperidinobenzenecarbohydrazide

Database IDs

• MDL Number: MFCD09607913
• PubChem SID: 162048001
• PubChem CID: 24213798

CALCULATED PROPERTIES

• Acid pKa: 13.7279415
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.0887077
• LogD (pH = 7.4): 2.0898504
• Log P: 2.089865
• Molar Refractivity: 70.9959 cm^3
• Polarizability: 26.106176 Å^3
• Polar Surface Area: 58.36 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 136 - 138 °C; 136-138°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%