1-(1-methylpyrrolidine-2-carbonyl)piperazine

• ChemBase ID: 239567
• Molecular Formular: C10H19N3O
• Molecular Mass: 197.27736
• Monoisotopic Mass: 197.15281224
• SMILES: C(=O)(C1N(CCC1)C)N1CCNCC1
• Canonical SMILES: CN1CCCC1C(=O)N1CCNCC1
• InChI: InChI=1S/C10H19N3O/c1-12-6-2-3-9(12)10(14)13-7-4-11-5-8-13/h9,11H,2-8H2,1H3
• InChIKey: AMYCICQYTOATBX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1-methylpyrrolidine-2-carbonyl)piperazine
• IUPAC Traditional name: 1-(1-methylpyrrolidine-2-carbonyl)piperazine
• Synonyms: 1-(1-methylpyrrolidine-2-carbonyl)piperazine

Database IDs

• MDL Number: MFCD14594382
• PubChem SID: 164295477
• PubChem CID: 19704824

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -5.400637
• LogD (pH = 7.4): -1.9176853
• Log P: -0.6096123
• Molar Refractivity: 55.73 cm^3
• Polarizability: 21.952879 Å^3
• Polar Surface Area: 35.58 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.528

Product Information

• Purity: 95%