1-cyclopropanecarbonyl-3,3-dimethylpiperazine

• ChemBase ID: 247386
• Molecular Formular: C10H18N2O
• Molecular Mass: 182.26272
• Monoisotopic Mass: 182.14191321
• SMILES: N1(C(=O)C2CC2)CC(NCC1)(C)C
• Canonical SMILES: O=C(N1CCNC(C1)(C)C)C1CC1
• InChI: InChI=1S/C10H18N2O/c1-10(2)7-12(6-5-11-10)9(13)8-3-4-8/h8,11H,3-7H2,1-2H3
• InChIKey: MFLLUTUMZCKQQF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopropanecarbonyl-3,3-dimethylpiperazine
• IUPAC Traditional name: 1-cyclopropanecarbonyl-3,3-dimethylpiperazine
• Synonyms: 1-cyclopropanecarbonyl-3,3-dimethylpiperazine

Database IDs

• MDL Number: MFCD19285327
• PubChem SID: 164303296
• PubChem CID: 71695500

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.073526
• LogD (pH = 7.4): -0.34064698
• Log P: 0.35808337
• Molar Refractivity: 51.4709 cm^3
• Polarizability: 20.424976 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.795

Product Information

• Purity: 95%