2-(1-methylpiperidin-4-yl)ethanimidamide

• ChemBase ID: 307281
• Molecular Formular: C8H17N3
• Molecular Mass: 155.24068
• Monoisotopic Mass: 155.14224756
• SMILES: N1(CCC(CC(=N)N)CC1)C
• Canonical SMILES: CN1CCC(CC1)CC(=N)N
• InChI: InChI=1S/C8H17N3/c1-11-4-2-7(3-5-11)6-8(9)10/h7H,2-6H2,1H3,(H3,9,10)
• InChIKey: ZUPNXHKTJUDPFR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1-methylpiperidin-4-yl)ethanimidamide
• IUPAC Traditional name: 2-(1-methylpiperidin-4-yl)ethanimidamide
• Synonyms: 2-(1-methylpiperidin-4-yl)ethanimidamide

Database IDs

• CAS Number: 915924-71-9
• MDL Number: MFCD08059918

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -5.973191
• LogD (pH = 7.4): -4.459796
• Log P: -0.28523284
• Molar Refractivity: 57.3614 cm^3
• Polarizability: 18.12591 Å^3
• Polar Surface Area: 53.11 Å^2