(3R)-piperidin-3-ylmethanol

• ChemBase ID: 68751
• Molecular Formular: C6H13NO
• Molecular Mass: 115.17352
• Monoisotopic Mass: 115.09971404
• SMILES: C(O)[C@H]1CNCCC1
• Canonical SMILES: OC[C@@H]1CCCNC1
• InChI: InChI=1S/C6H13NO/c8-5-6-2-1-3-7-4-6/h6-8H,1-5H2/t6-/m1/s1
• InChIKey: VUNPWIPIOOMCPT-ZCFIWIBFSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3R)-piperidin-3-ylmethanol
• IUPAC Traditional name: (3R)-piperidin-3-ylmethanol
• Synonyms: (R)-(Piperidin-3-yl)methanol

Database IDs

• CAS Number: 37675-20-0
• MDL Number: MFCD09751036
• PubChem SID: 162034481
• PubChem CID: 853001

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

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%