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

• ChemBase ID: 257836
• Molecular Formular: C11H21N3O
• Molecular Mass: 211.30394
• Monoisotopic Mass: 211.16846231
• SMILES: C(=O)(N1CCN(CC1)C)C1CCNCC1
• Canonical SMILES: CN1CCN(CC1)C(=O)C1CCNCC1
• InChI: InChI=1S/C11H21N3O/c1-13-6-8-14(9-7-13)11(15)10-2-4-12-5-3-10/h10,12H,2-9H2,1H3
• InChIKey: GDHWXQQENDWPIY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-4-(piperidine-4-carbonyl)piperazine
• IUPAC Traditional name: 1-methyl-4-(piperidine-4-carbonyl)piperazine
• Synonyms: 1-methyl-4-(piperidin-4-ylcarbonyl)piperazine

Database IDs

• CAS Number: 63214-56-2
• MDL Number: MFCD03372515
• PubChem SID: 164313746
• PubChem CID: 2760037

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -5.3034925
• LogD (pH = 7.4): -3.401283
• Log P: -0.63223875
• Molar Refractivity: 60.741 cm^3
• Polarizability: 23.793373 Å^3
• Polar Surface Area: 35.58 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.64

Product Information

• Purity: 95%