2-(4-hydroxypiperidin-1-yl)-N,N-dimethylacetamide

• ChemBase ID: 271887
• Molecular Formular: C9H18N2O2
• Molecular Mass: 186.25142
• Monoisotopic Mass: 186.13682783
• SMILES: C(=O)(CN1CCC(CC1)O)N(C)C
• Canonical SMILES: OC1CCN(CC1)CC(=O)N(C)C
• InChI: InChI=1S/C9H18N2O2/c1-10(2)9(13)7-11-5-3-8(12)4-6-11/h8,12H,3-7H2,1-2H3
• InChIKey: MJBOPNMXUGXHHW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-hydroxypiperidin-1-yl)-N,N-dimethylacetamide
• IUPAC Traditional name: 2-(4-hydroxypiperidin-1-yl)-N,N-dimethylacetamide
• Synonyms: 2-(4-hydroxypiperidin-1-yl)-N,N-dimethylacetamide

Database IDs

• MDL Number: MFCD12145832
• PubChem SID: 164327797
• PubChem CID: 43218636

CALCULATED PROPERTIES

• Acid pKa: 15.179247
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.4278517
• LogD (pH = 7.4): -1.7653457
• Log P: -1.3733782
• Molar Refractivity: 51.4126 cm^3
• Polarizability: 19.94658 Å^3
• Polar Surface Area: 43.78 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.006

Product Information

• Purity: 95%