[(3S)-piperidin-3-yl]methanol

• ChemBase ID: 796018
• Molecular Formular: C6H13NO
• Molecular Mass: 115.17352
• Monoisotopic Mass: 115.09971404
• SMILES: C(O)[C@H]1CCCNC1
• Canonical SMILES: OC[C@H]1CCCNC1
• InChI: InChI=1S/C6H13NO/c8-5-6-2-1-3-7-4-6/h6-8H,1-5H2/t6-/m0/s1
• InChIKey: VUNPWIPIOOMCPT-LURJTMIESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(3S)-piperidin-3-yl]methanol
• IUPAC Traditional name: (3S)-piperidin-3-ylmethanol
• Synonyms: (S)-piperidin-3-ylmethanol

Database IDs

• CAS Number: 144539-77-5

CALCULATED PROPERTIES

• Acid pKa: 15.431922
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.5895507
• LogD (pH = 7.4): -2.8573127
• Log P: -0.3726614
• Molar Refractivity: 33.1369 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: 98%