1-cyclohexylpiperazin-2-one

• ChemBase ID: 16953
• Molecular Formular: C10H18N2O
• Molecular Mass: 182.26272
• Monoisotopic Mass: 182.14191321
• SMILES: C1(N2C(=O)CNCC2)CCCCC1
• Canonical SMILES: O=C1CNCCN1C1CCCCC1
• InChI: InChI=1S/C10H18N2O/c13-10-8-11-6-7-12(10)9-4-2-1-3-5-9/h9,11H,1-8H2
• InChIKey: OSFLFWJEDYTKEX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclohexylpiperazin-2-one
• IUPAC Traditional name: 1-cyclohexylpiperazin-2-one
• Synonyms: 1-cyclohexylpiperazin-2-one; 1-cyclohexyl-2-piperazinone; 1-Cyclohexyl-piperazin-2-one

Database IDs

• CAS Number: 99976-73-5
• MDL Number: MFCD07186364
• PubChem SID: 160980260
• PubChem CID: 3157471

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.0015309
• LogD (pH = 7.4): 0.39252493
• Log P: 0.55325997
• Molar Refractivity: 51.4388 cm^3
• Polarizability: 20.424976 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: 98%