4-methyl-1-(piperidin-4-yl)piperazin-2-one

• ChemBase ID: 248724
• Molecular Formular: C10H19N3O
• Molecular Mass: 197.27736
• Monoisotopic Mass: 197.15281224
• SMILES: N1(C(=O)CN(CC1)C)C1CCNCC1
• Canonical SMILES: CN1CCN(C(=O)C1)C1CCNCC1
• InChI: InChI=1S/C10H19N3O/c1-12-6-7-13(10(14)8-12)9-2-4-11-5-3-9/h9,11H,2-8H2,1H3
• InChIKey: CAHSWQWNHWKDKV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-1-(piperidin-4-yl)piperazin-2-one
• IUPAC Traditional name: 4-methyl-1-(piperidin-4-yl)piperazin-2-one
• Synonyms: 4-methyl-1-(piperidin-4-yl)piperazin-2-one

Database IDs

• MDL Number: MFCD20682913
• PubChem SID: 164304634
• PubChem CID: 68418672

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -5.3104095
• LogD (pH = 7.4): -3.7883463
• Log P: -1.2192044
• Molar Refractivity: 55.8757 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): -0.086

Product Information

• Purity: 95%