1-(thiophen-3-ylmethyl)piperidin-4-ol

• ChemBase ID: 283175
• Molecular Formular: C10H15NOS
• Molecular Mass: 197.2972
• Monoisotopic Mass: 197.08743511
• SMILES: c1(cscc1)CN1CCC(CC1)O
• Canonical SMILES: OC1CCN(CC1)Cc1cscc1
• InChI: InChI=1S/C10H15NOS/c12-10-1-4-11(5-2-10)7-9-3-6-13-8-9/h3,6,8,10,12H,1-2,4-5,7H2
• InChIKey: JQJVNJKLFUBEBG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(thiophen-3-ylmethyl)piperidin-4-ol
• IUPAC Traditional name: 1-(thiophen-3-ylmethyl)piperidin-4-ol
• Synonyms: 1-(thiophen-3-ylmethyl)piperidin-4-ol

Database IDs

• MDL Number: MFCD01652491
• PubChem SID: 180668706
• PubChem CID: 40476772

CALCULATED PROPERTIES

• Acid pKa: 15.179255
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.8072029
• LogD (pH = 7.4): -0.046127286
• Log P: 1.0131441
• Molar Refractivity: 55.4308 cm^3
• Polarizability: 21.440416 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.728

Product Information

• Purity: 95%