4-methyl-1-(piperidine-4-carbonyl)piperidine

• ChemBase ID: 36733
• Molecular Formular: C12H22N2O
• Molecular Mass: 210.31588
• Monoisotopic Mass: 210.17321333
• SMILES: C1CNCCC1C(=O)N1CCC(CC1)C
• Canonical SMILES: CC1CCN(CC1)C(=O)C1CCNCC1
• InChI: InChI=1S/C12H22N2O/c1-10-4-8-14(9-5-10)12(15)11-2-6-13-7-3-11/h10-11,13H,2-9H2,1H3
• InChIKey: MDXOMBYJWBMJGY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-1-(piperidine-4-carbonyl)piperidine
• IUPAC Traditional name: 4-methyl-1-(piperidine-4-carbonyl)piperidine
• Synonyms: (4-Methylpiperidin-1-yl)(piperidin-4-yl)methanone; 4-Methyl-1-(piperidin-4-ylcarbonyl)piperidine

Database IDs

• CAS Number: 496057-63-7
• MDL Number: MFCD03372493
• PubChem SID: 161000040
• PubChem CID: 1520158

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.5679445
• LogD (pH = 7.4): -1.9835086
• Log P: 0.65802693
• Molar Refractivity: 61.3815 cm^3
• Polarizability: 24.10781 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%