2-(4-aminopiperidine-1-carbonyl)phenol

• ChemBase ID: 266553
• Molecular Formular: C12H16N2O2
• Molecular Mass: 220.26764
• Monoisotopic Mass: 220.12117776
• SMILES: C(=O)(c1c(O)cccc1)N1CCC(CC1)N
• Canonical SMILES: NC1CCN(CC1)C(=O)c1ccccc1O
• InChI: InChI=1S/C12H16N2O2/c13-9-5-7-14(8-6-9)12(16)10-3-1-2-4-11(10)15/h1-4,9,15H,5-8,13H2
• InChIKey: ICZMYPAEUHZWQP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-aminopiperidine-1-carbonyl)phenol
• IUPAC Traditional name: 2-(4-aminopiperidine-1-carbonyl)phenol
• Synonyms: 2-[(4-aminopiperidin-1-yl)carbonyl]phenol

Database IDs

• MDL Number: MFCD09046776
• PubChem SID: 164322463
• PubChem CID: 16774393

CALCULATED PROPERTIES

• Acid pKa: 8.169304
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.0787718
• LogD (pH = 7.4): -0.82792383
• Log P: -0.10087664
• Molar Refractivity: 62.2925 cm^3
• Polarizability: 23.772917 Å^3
• Polar Surface Area: 66.56 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.313

Product Information

• Purity: 95%