1-(piperidin-4-yl)piperidine-4-carboxylic acid

• ChemBase ID: 308070
• Molecular Formular: C11H20N2O2
• Molecular Mass: 212.2887
• Monoisotopic Mass: 212.15247789
• SMILES: N1(CCC(C(=O)O)CC1)C1CCNCC1
• Canonical SMILES: OC(=O)C1CCN(CC1)C1CCNCC1
• InChI: InChI=1S/C11H20N2O2/c14-11(15)9-3-7-13(8-4-9)10-1-5-12-6-2-10/h9-10,12H,1-8H2,(H,14,15)
• InChIKey: WTLWHVGPUFVOJT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(piperidin-4-yl)piperidine-4-carboxylic acid
• IUPAC Traditional name: 1-(piperidin-4-yl)piperidine-4-carboxylic acid
• Synonyms: 1,4'-bipiperidine-4-carboxylic acid

Database IDs

• CAS Number: 201810-56-2
• MDL Number: MFCD09696867

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -5.291155
• LogD (pH = 7.4): -3.5211883
• Log P: -2.764685
• Molar Refractivity: 58.5264 cm^3
• Polarizability: 23.102808 Å^3
• Polar Surface Area: 52.57 Å^2