1-(1-methylpiperidin-4-yl)piperidine-4-carbohydrazide

• ChemBase ID: 60374
• Molecular Formular: C12H24N4O
• Molecular Mass: 240.34516
• Monoisotopic Mass: 240.19501141
• SMILES: C1CN(CCC1C(=O)NN)C1CCN(CC1)C
• Canonical SMILES: NNC(=O)C1CCN(CC1)C1CCN(CC1)C
• InChI: InChI=1S/C12H24N4O/c1-15-6-4-11(5-7-15)16-8-2-10(3-9-16)12(17)14-13/h10-11H,2-9,13H2,1H3,(H,14,17)
• InChIKey: MFKZAZWAILGUQX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1-methylpiperidin-4-yl)piperidine-4-carbohydrazide
• IUPAC Traditional name: 1-(1-methylpiperidin-4-yl)piperidine-4-carbohydrazide
• Synonyms: 1'-Methyl-1,4'-bipiperidine-4-carbohydrazide

Database IDs

• MDL Number: MFCD19103358
• PubChem SID: 162026115
• PubChem CID: 53338617

CALCULATED PROPERTIES

• Acid pKa: 13.0456915
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -5.8960423
• LogD (pH = 7.4): -3.5247257
• Log P: -0.8133321
• Molar Refractivity: 70.1274 cm^3
• Polarizability: 27.062225 Å^3
• Polar Surface Area: 61.6 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false