1-(piperazin-1-yl)pentan-1-one

• ChemBase ID: 258194
• Molecular Formular: C9H18N2O
• Molecular Mass: 170.25202
• Monoisotopic Mass: 170.14191321
• SMILES: N1(C(=O)CCCC)CCNCC1
• Canonical SMILES: CCCCC(=O)N1CCNCC1
• InChI: InChI=1S/C9H18N2O/c1-2-3-4-9(12)11-7-5-10-6-8-11/h10H,2-8H2,1H3
• InChIKey: ANEMDFCFHXKSHF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(piperazin-1-yl)pentan-1-one
• IUPAC Traditional name: 1-(piperazin-1-yl)pentan-1-one
• Synonyms: 1-pentanoylpiperazine

Database IDs

• MDL Number: MFCD09808668
• PubChem SID: 164314104
• PubChem CID: 10535172

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.8040866
• LogD (pH = 7.4): -0.09003277
• Log P: 0.47080863
• Molar Refractivity: 48.8436 cm^3
• Polarizability: 19.311396 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.76

Product Information

• Purity: 95%