piperidin-4-yl(thiophen-2-yl)methanol

• ChemBase ID: 143878
• Molecular Formular: C10H15NOS
• Molecular Mass: 197.2972
• Monoisotopic Mass: 197.08743511
• SMILES: c1cc(sc1)C(C1CCNCC1)O
• Canonical SMILES: OC(c1cccs1)C1CCNCC1
• InChI: InChI=1S/C10H15NOS/c12-10(9-2-1-7-13-9)8-3-5-11-6-4-8/h1-2,7-8,10-12H,3-6H2
• InChIKey: GBVBWWGQKWSZTG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: piperidin-4-yl(thiophen-2-yl)methanol
• IUPAC Traditional name: piperidin-4-yl(thiophen-2-yl)methanol
• Synonyms: piperidin-4-yl(2-thienyl)methanol; Piperidin-4-yl(2-thienyl)methanol

Database IDs

• CAS Number: 938458-94-7
• MDL Number: MFCD09055258
• PubChem SID: 162238095
• PubChem CID: 24261114

CALCULATED PROPERTIES

• Acid pKa: 13.816872
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.9381284
• LogD (pH = 7.4): -1.2667485
• Log P: 1.2829034
• Molar Refractivity: 54.4084 cm^3
• Polarizability: 21.442635 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C10H15NOS

DETAILS

Sigma Aldrich - CBR00588

Other Notes
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Legal Information
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