1-methylpiperidine-3-carboximidamide

• ChemBase ID: 309890
• Molecular Formular: C7H15N3
• Molecular Mass: 141.2141
• Monoisotopic Mass: 141.1265975
• SMILES: C1(C(=N)N)CN(CCC1)C
• Canonical SMILES: CN1CCCC(C1)C(=N)N
• InChI: InChI=1S/C7H15N3/c1-10-4-2-3-6(5-10)7(8)9/h6H,2-5H2,1H3,(H3,8,9)
• InChIKey: YOEDLRORQIKPJA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methylpiperidine-3-carboximidamide
• IUPAC Traditional name: 1-methylpiperidine-3-carboximidamide
• Synonyms: 1-methyl-3-piperidinecarboximidamide

Database IDs

• MDL Number: MFCD20324346

CALCULATED PROPERTIES

• H Donor: 2
• LogD (pH = 5.5): -5.772326
• LogD (pH = 7.4): -4.0719757
• Log P: -0.31792685
• Molar Refractivity: 52.6323 cm^3
• Polarizability: 16.282911 Å^3
• Polar Surface Area: 53.11 Å^2
• H Acceptors: 3