(2R,4R)-2-[(4-chlorophenyl)methyl]piperidin-4-ol

• ChemBase ID: 799655
• Molecular Formular: C12H16ClNO
• Molecular Mass: 225.71454
• Monoisotopic Mass: 225.09204182
• SMILES: [C@H]1(CCN[C@@H](C1)Cc1ccc(cc1)Cl)O
• Canonical SMILES: O[C@@H]1CCN[C@@H](C1)Cc1ccc(cc1)Cl
• InChI: InChI=1S/C12H16ClNO/c13-10-3-1-9(2-4-10)7-11-8-12(15)5-6-14-11/h1-4,11-12,14-15H,5-8H2/t11-,12-/m1/s1
• InChIKey: YJFDTCMKBVEWIM-VXGBXAGGSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R,4R)-2-[(4-chlorophenyl)methyl]piperidin-4-ol
• IUPAC Traditional name: (2R,4R)-2-[(4-chlorophenyl)methyl]piperidin-4-ol
• Synonyms: (2R,4R)-2-(4-chlorobenzyl)piperidin-4-ol

CALCULATED PROPERTIES

• Acid pKa: 15.170315
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.3728977
• LogD (pH = 7.4): -0.2891128
• Log P: 1.8021272
• Molar Refractivity: 62.2603 cm^3
• Polarizability: 24.573557 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%