1-methyl-N-(1-methylpiperidin-4-yl)piperidin-4-amine

• ChemBase ID: 10525
• Molecular Formular: C12H25N3
• Molecular Mass: 211.347
• Monoisotopic Mass: 211.20484782
• SMILES: C1N(CCC(C1)NC1CCN(CC1)C)C
• Canonical SMILES: CN1CCC(CC1)NC1CCN(CC1)C
• InChI: InChI=1S/C12H25N3/c1-14-7-3-11(4-8-14)13-12-5-9-15(2)10-6-12/h11-13H,3-10H2,1-2H3
• InChIKey: LLBSZFPXXCBOFL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-N-(1-methylpiperidin-4-yl)piperidin-4-amine
• IUPAC Traditional name: 1-methyl-N-(1-methylpiperidin-4-yl)piperidin-4-amine
• Synonyms: Bis(1-methylpiperidin-4-yl)amine

Database IDs

• CAS Number: 117927-28-3
• MDL Number: MFCD03426080
• PubChem SID: 160973832
• PubChem CID: 2761147

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -6.999024
• LogD (pH = 7.4): -3.8022108
• Log P: -0.13926622
• Molar Refractivity: 65.5956 cm^3
• Polarizability: 25.977915 Å^3
• Polar Surface Area: 18.51 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 102-105°C/0.45mm; 102-105°C/0.6mm

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false