1-methyl-4-(piperidine-3-carbonyl)piperazine

• ChemBase ID: 269805
• Molecular Formular: C11H21N3O
• Molecular Mass: 211.30394
• Monoisotopic Mass: 211.16846231
• SMILES: C(=O)(N1CCN(CC1)C)C1CNCCC1
• Canonical SMILES: CN1CCN(CC1)C(=O)C1CCCNC1
• InChI: InChI=1S/C11H21N3O/c1-13-5-7-14(8-6-13)11(15)10-3-2-4-12-9-10/h10,12H,2-9H2,1H3
• InChIKey: WGGLYSNFDJNCTB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-4-(piperidine-3-carbonyl)piperazine
• IUPAC Traditional name: 1-methyl-4-(piperidine-3-carbonyl)piperazine
• Synonyms: 1-methyl-4-[(piperidin-3-yl)carbonyl]piperazine

Database IDs

• MDL Number: MFCD05859957
• PubChem SID: 164325715
• PubChem CID: 2794687

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -5.107607
• LogD (pH = 7.4): -2.771403
• Log P: -0.47633126
• Molar Refractivity: 60.587 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

• Melting Point: 85 - 87°C
• Hydrophobicity(logP): 0.595

Product Information

• Purity: 95%