4-(3-chlorophenyl)piperidin-4-ol

• ChemBase ID: 35363
• Molecular Formular: C11H14ClNO
• Molecular Mass: 211.68796
• Monoisotopic Mass: 211.07639175
• SMILES: C1(c2cc(Cl)ccc2)(CCNCC1)O
• Canonical SMILES: Clc1cccc(c1)C1(O)CCNCC1
• InChI: InChI=1S/C11H14ClNO/c12-10-3-1-2-9(8-10)11(14)4-6-13-7-5-11/h1-3,8,13-14H,4-7H2
• InChIKey: PDJGUVHLVCOIFF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(3-chlorophenyl)piperidin-4-ol
• IUPAC Traditional name: 4-(3-chlorophenyl)piperidin-4-ol
• Synonyms: 4-(3-Chlorophenyl)piperidin-4-ol

Database IDs

• MDL Number: MFCD08689269
• PubChem SID: 160998670
• PubChem CID: 10013391

CALCULATED PROPERTIES

• Acid pKa: 13.928511
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.7751279
• LogD (pH = 7.4): -0.5863249
• Log P: 1.3774676
• Molar Refractivity: 57.7247 cm^3
• Polarizability: 22.807714 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