1-methanesulfonylpiperidin-4-ol

• ChemBase ID: 285722
• Molecular Formular: C6H13NO3S
• Molecular Mass: 179.23732
• Monoisotopic Mass: 179.06161428
• SMILES: S(=O)(=O)(N1CCC(CC1)O)C
• Canonical SMILES: OC1CCN(CC1)S(=O)(=O)C
• InChI: InChI=1S/C6H13NO3S/c1-11(9,10)7-4-2-6(8)3-5-7/h6,8H,2-5H2,1H3
• InChIKey: UPEFDWJLNXWMOW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methanesulfonylpiperidin-4-ol
• IUPAC Traditional name: 1-methanesulfonylpiperidin-4-ol
• Synonyms: 1-methanesulfonylpiperidin-4-ol

Database IDs

• MDL Number: MFCD11044218
• PubChem SID: 180671253
• PubChem CID: 22272981

CALCULATED PROPERTIES

• Polarizability: 17.082563 Å^3
• Polar Surface Area: 57.61 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• Acid pKa: 15.174309
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.7698377
• LogD (pH = 7.4): -1.7698379
• Log P: -1.7698377
• Molar Refractivity: 41.5846 cm^3

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.506

Product Information

• Purity: 95%