2-methyl-3-(4-methylpiperidin-1-yl)propanehydrazide

• ChemBase ID: 236370
• Molecular Formular: C10H21N3O
• Molecular Mass: 199.29324
• Monoisotopic Mass: 199.16846231
• SMILES: C(C(=O)NN)(CN1CCC(CC1)C)C
• Canonical SMILES: NNC(=O)C(CN1CCC(CC1)C)C
• InChI: InChI=1S/C10H21N3O/c1-8-3-5-13(6-4-8)7-9(2)10(14)12-11/h8-9H,3-7,11H2,1-2H3,(H,12,14)
• InChIKey: FICVNNCMNCTDDE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-3-(4-methylpiperidin-1-yl)propanehydrazide
• IUPAC Traditional name: 2-methyl-3-(4-methylpiperidin-1-yl)propanehydrazide
• Synonyms: 2-methyl-3-(4-methylpiperidin-1-yl)propanohydrazide

Database IDs

• MDL Number: MFCD05267740
• PubChem SID: 164292280
• PubChem CID: 3332405

CALCULATED PROPERTIES

• Acid pKa: 13.353293
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.9776545
• LogD (pH = 7.4): -2.0573535
• Log P: 0.4821187
• Molar Refractivity: 58.3435 cm^3
• Polarizability: 22.580238 Å^3
• Polar Surface Area: 58.36 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 113 - 115°C
• Hydrophobicity(logP): 0.841

Product Information

• Purity: 95%