[1-methyl-4-(piperidin-1-yl)piperidin-4-yl]methanamine

• ChemBase ID: 283298
• Molecular Formular: C12H25N3
• Molecular Mass: 211.347
• Monoisotopic Mass: 211.20484782
• SMILES: C1(N2CCCCC2)(CCN(CC1)C)CN
• Canonical SMILES: NCC1(CCN(CC1)C)N1CCCCC1
• InChI: InChI=1S/C12H25N3/c1-14-9-5-12(11-13,6-10-14)15-7-3-2-4-8-15/h2-11,13H2,1H3
• InChIKey: ALKYOCFYYIHZIX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-methyl-4-(piperidin-1-yl)piperidin-4-yl]methanamine
• IUPAC Traditional name: [1-methyl-4-(piperidin-1-yl)piperidin-4-yl]methanamine
• Synonyms: [1-methyl-4-(piperidin-1-yl)piperidin-4-yl]methanamine

Database IDs

• MDL Number: MFCD05201714
• PubChem SID: 180668829
• PubChem CID: 7219944

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -5.9637647
• LogD (pH = 7.4): -3.588083
• Log P: 0.19412664
• Molar Refractivity: 65.4206 cm^3
• Polarizability: 25.977915 Å^3
• Polar Surface Area: 32.5 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.841

Product Information

• Purity: 95%