(2R)-piperidin-2-ylmethanol

• ChemBase ID: 242345
• Molecular Formular: C6H13NO
• Molecular Mass: 115.17352
• Monoisotopic Mass: 115.09971404
• SMILES: N1[C@@H](CO)CCCC1
• Canonical SMILES: OC[C@H]1CCCCN1
• InChI: InChI=1S/C6H13NO/c8-5-6-3-1-2-4-7-6/h6-8H,1-5H2/t6-/m1/s1
• InChIKey: PRAYXGYYVXRDDW-ZCFIWIBFSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-piperidin-2-ylmethanol
• IUPAC Traditional name: (2R)-piperidin-2-ylmethanol
• Synonyms: (2R)-piperidin-2-ylmethanol; (R)-Piperidin-2-ylmethanol

Database IDs

• CAS Number: 3197-44-2
• MDL Number: MFCD11036292
• PubChem SID: 164298255
• PubChem CID: 6950192

CALCULATED PROPERTIES

• Acid pKa: 15.120575
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.1817188
• LogD (pH = 7.4): -2.352846
• Log P: 0.027152717
• Molar Refractivity: 32.7979 cm^3
• Polarizability: 13.196873 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.251

Product Information

• Purity: 95%; 95+%