1-(2-methylcyclopropanecarbonyl)piperazine

• ChemBase ID: 279651
• Molecular Formular: C9H16N2O
• Molecular Mass: 168.23614
• Monoisotopic Mass: 168.12626314
• SMILES: C1(C(=O)N2CCNCC2)CC1C
• Canonical SMILES: CC1CC1C(=O)N1CCNCC1
• InChI: InChI=1S/C9H16N2O/c1-7-6-8(7)9(12)11-4-2-10-3-5-11/h7-8,10H,2-6H2,1H3
• InChIKey: SMLHLXHCIJUNJT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methylcyclopropanecarbonyl)piperazine
• IUPAC Traditional name: 1-(2-methylcyclopropanecarbonyl)piperazine
• Synonyms: 1-[(2-methylcyclopropyl)carbonyl]piperazine

Database IDs

• MDL Number: MFCD08444701
• PubChem SID: 164335561
• PubChem CID: 16228148

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.3269312
• LogD (pH = 7.4): -0.61287993
• Log P: -0.052049235
• Molar Refractivity: 46.9625 cm^3
• Polarizability: 18.585028 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.276

Product Information

• Purity: 95%