[1-(thiophen-2-ylmethyl)piperidin-4-yl]methanol

• ChemBase ID: 77638
• Molecular Formular: C11H17NOS
• Molecular Mass: 211.32378
• Monoisotopic Mass: 211.10308517
• SMILES: s1cccc1CN1CCC(CC1)CO
• Canonical SMILES: OCC1CCN(CC1)Cc1cccs1
• InChI: InChI=1S/C11H17NOS/c13-9-10-3-5-12(6-4-10)8-11-2-1-7-14-11/h1-2,7,10,13H,3-6,8-9H2
• InChIKey: KAZWOHUGLHRSDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(thiophen-2-ylmethyl)piperidin-4-yl]methanol
• IUPAC Traditional name: [1-(thiophen-2-ylmethyl)piperidin-4-yl]methanol
• Synonyms: [1-(Thien-2-ylmethyl)piperidin-4-yl]methanol; 4-(Hydroxymethyl)-1-(thien-2-ylmethyl)piperidine 97%; [1-(thien-2-ylmethyl)piperid-4-yl]methanol

Database IDs

• CAS Number: 926921-81-5
• MDL Number: MFCD09817554
• PubChem SID: 162042510
• PubChem CID: 24229736

CALCULATED PROPERTIES

• Acid pKa: 15.467189
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.5351571
• LogD (pH = 7.4): 0.106462196
• Log P: 1.6061842
• Molar Refractivity: 60.0329 cm^3
• Polarizability: 23.283056 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive

Product Information

• Purity: 97%