2-cyclopentyl-1-(piperazin-1-yl)ethan-1-one

• ChemBase ID: 254831
• Molecular Formular: C11H20N2O
• Molecular Mass: 196.2893
• Monoisotopic Mass: 196.15756327
• SMILES: C(=O)(N1CCNCC1)CC1CCCC1
• Canonical SMILES: O=C(N1CCNCC1)CC1CCCC1
• InChI: InChI=1S/C11H20N2O/c14-11(9-10-3-1-2-4-10)13-7-5-12-6-8-13/h10,12H,1-9H2
• InChIKey: YANOVQCICLIJBB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopentyl-1-(piperazin-1-yl)ethan-1-one
• IUPAC Traditional name: 2-cyclopentyl-1-(piperazin-1-yl)ethanone
• Synonyms: 1-(cyclopentylacetyl)piperazine

Database IDs

• MDL Number: MFCD08442402
• PubChem SID: 164310741
• PubChem CID: 16769227

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.5362251
• LogD (pH = 7.4): 0.17782915
• Log P: 0.73867047
• Molar Refractivity: 56.191 cm^3
• Polarizability: 22.265976 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 37 - 39°C
• Hydrophobicity(logP): 1.264

Product Information

• Purity: 95%