1-(quinolin-2-yl)piperidine-4-carboxylic acid hydrochloride

• ChemBase ID: 284574
• Molecular Formular: C15H17ClN2O2
• Molecular Mass: 292.76068
• Monoisotopic Mass: 292.09785547
• SMILES: n1c(N2CCC(C(=O)O)CC2)ccc2c1cccc2.Cl
• Canonical SMILES: OC(=O)C1CCN(CC1)c1ccc2c(n1)cccc2.Cl
• InChI: InChI=1S/C15H16N2O2.ClH/c18-15(19)12-7-9-17(10-8-12)14-6-5-11-3-1-2-4-13(11)16-14;/h1-6,12H,7-10H2,(H,18,19);1H
• InChIKey: WLILONAAXCPYRK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(quinolin-2-yl)piperidine-4-carboxylic acid hydrochloride
• IUPAC Traditional name: 1-(quinolin-2-yl)piperidine-4-carboxylic acid hydrochloride
• Synonyms: 1-(quinolin-2-yl)piperidine-4-carboxylic acid hydrochloride

Database IDs

• MDL Number: MFCD20731118
• PubChem SID: 180670105
• PubChem CID: 56828036

CALCULATED PROPERTIES

• Acid pKa: 4.311357
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.3454242
• LogD (pH = 7.4): 0.023749143
• Log P: 1.4251112
• Molar Refractivity: 73.1033 cm^3
• Polarizability: 28.908451 Å^3
• Polar Surface Area: 53.43 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.899

Product Information

• Purity: 95%