2-(4-phenylpiperazin-1-yl)quinolin-8-ol

• ChemBase ID: 117229
• Molecular Formular: C19H19N3O
• Molecular Mass: 305.37366
• Monoisotopic Mass: 305.15281224
• SMILES: n1c(N2CCN(CC2)c2ccccc2)ccc2c1c(O)ccc2
• Canonical SMILES: Oc1cccc2c1nc(cc2)N1CCN(CC1)c1ccccc1
• InChI: InChI=1S/C19H19N3O/c23-17-8-4-5-15-9-10-18(20-19(15)17)22-13-11-21(12-14-22)16-6-2-1-3-7-16/h1-10,23H,11-14H2
• InChIKey: NLEBIHHGSQJBTM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-phenylpiperazin-1-yl)quinolin-8-ol
• IUPAC Traditional name: 2-(4-phenylpiperazin-1-yl)quinolin-8-ol
• Synonyms: 2-(4-Phenylpiperazin-1-yl)quinolin-8-ol

Database IDs

• MDL Number: MFCD09240617
• PubChem SID: 162102649
• PubChem CID: 16812500

CALCULATED PROPERTIES

• Acid pKa: 9.326718
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.693799
• LogD (pH = 7.4): 4.238524
• Log P: 4.2680764
• Molar Refractivity: 93.2509 cm^3
• Polarizability: 36.10325 Å^3
• Polar Surface Area: 39.6 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 3.297

Product Information

• Purity: 95+%