(2S)-piperidin-2-ylmethanol

• ChemBase ID: 289645
• Molecular Formular: C6H13NO
• Molecular Mass: 115.17352
• Monoisotopic Mass: 115.09971404
• SMILES: OC[C@H]1NCCCC1
• Canonical SMILES: OC[C@@H]1CCCCN1
• InChI: InChI=1S/C6H13NO/c8-5-6-3-1-2-4-7-6/h6-8H,1-5H2/t6-/m0/s1
• InChIKey: PRAYXGYYVXRDDW-LURJTMIESA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 41373-39-1
• MDL Number: MFCD11036291
• PubChem SID: 180675176
• PubChem CID: 6950194

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

Product Information

• Purity: 95+%