1-methyl-4-(piperidin-4-yl)piperidine

• ChemBase ID: 307609
• Molecular Formular: C11H22N2
• Molecular Mass: 182.30578
• Monoisotopic Mass: 182.17829871
• SMILES: N1(CCC(CC1)C1CCNCC1)C
• Canonical SMILES: CN1CCC(CC1)C1CCNCC1
• InChI: InChI=1S/C11H22N2/c1-13-8-4-11(5-9-13)10-2-6-12-7-3-10/h10-12H,2-9H2,1H3
• InChIKey: UKWJATKQEKITFM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-4-(piperidin-4-yl)piperidine
• IUPAC Traditional name: 1-methyl-4-(piperidin-4-yl)piperidine
• Synonyms: 1-methyl-4,4'-bipiperidine

Database IDs

• CAS Number: 122373-80-2
• MDL Number: MFCD06740336

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.6093855
• LogD (pH = 7.4): -3.675345
• Log P: 0.9191982
• Molar Refractivity: 57.0585 cm^3
• Polarizability: 22.610828 Å^3
• Polar Surface Area: 15.27 Å^2