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

• ChemBase ID: 35367
• Molecular Formular: C9H13NOS
• Molecular Mass: 183.27062
• Monoisotopic Mass: 183.07178504
• SMILES: c1(C2(CCNCC2)O)sccc1
• Canonical SMILES: OC1(CCNCC1)c1cccs1
• InChI: InChI=1S/C9H13NOS/c11-9(3-5-10-6-4-9)8-2-1-7-12-8/h1-2,7,10-11H,3-6H2
• InChIKey: BYSHXPGDGVBPHI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(thiophen-2-yl)piperidin-4-ol
• IUPAC Traditional name: 4-(thiophen-2-yl)piperidin-4-ol
• Synonyms: 4-Thien-2-ylpiperidin-4-ol

Database IDs

• MDL Number: MFCD08689280
• PubChem SID: 160998674
• PubChem CID: 14441129

CALCULATED PROPERTIES

• Acid pKa: 13.608804
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.4487891
• LogD (pH = 7.4): -1.1958748
• Log P: 0.68630433
• Molar Refractivity: 49.8098 cm^3
• Polarizability: 19.603687 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false