1-(piperazin-1-yl)cyclopentane-1-carboxylic acid

• ChemBase ID: 274341
• Molecular Formular: C10H18N2O2
• Molecular Mass: 198.26212
• Monoisotopic Mass: 198.13682783
• SMILES: C1(N2CCNCC2)(C(=O)O)CCCC1
• Canonical SMILES: OC(=O)C1(CCCC1)N1CCNCC1
• InChI: InChI=1S/C10H18N2O2/c13-9(14)10(3-1-2-4-10)12-7-5-11-6-8-12/h11H,1-8H2,(H,13,14)
• InChIKey: GQZDCAGCXOATAZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(piperazin-1-yl)cyclopentane-1-carboxylic acid
• IUPAC Traditional name: 1-(piperazin-1-yl)cyclopentane-1-carboxylic acid
• Synonyms: 1-(piperazin-1-yl)cyclopentane-1-carboxylic acid

Database IDs

• MDL Number: MFCD12818024
• PubChem SID: 164330251
• PubChem CID: 54593128

CALCULATED PROPERTIES

• Acid pKa: 1.8205559
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.2757003
• LogD (pH = 7.4): -1.9992849
• Log P: -1.9966155
• Molar Refractivity: 53.2811 cm^3
• Polarizability: 21.265831 Å^3
• Polar Surface Area: 52.57 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.392

Product Information

• Purity: 95%