4-methylpiperidin-4-amine

• ChemBase ID: 806173
• Molecular Formular: C6H14N2
• Molecular Mass: 114.18876
• Monoisotopic Mass: 114.11569846
• SMILES: C1(CCNCC1)(N)C
• Canonical SMILES: CC1(N)CCNCC1
• InChI: InChI=1S/C6H14N2/c1-6(7)2-4-8-5-3-6/h8H,2-5,7H2,1H3
• InChIKey: RZOQTVTZVPADOP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methylpiperidin-4-amine
• IUPAC Traditional name: 4-methylpiperidin-4-amine
• Synonyms: 4-METHYL-4-PIPERIDINAMINE

Database IDs

• CAS Number: 196614-16-1

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -6.707719
• LogD (pH = 7.4): -4.9777617
• Log P: -0.701124
• Molar Refractivity: 34.7134 cm^3
• Polarizability: 14.118806 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%