1-(propan-2-yl)piperidin-3-ol

• ChemBase ID: 814469
• Molecular Formular: C8H17NO
• Molecular Mass: 143.22668
• Monoisotopic Mass: 143.13101417
• SMILES: C1CCN(CC1O)C(C)C
• Canonical SMILES: OC1CCCN(C1)C(C)C
• InChI: InChI=1S/C8H17NO/c1-7(2)9-5-3-4-8(10)6-9/h7-8,10H,3-6H2,1-2H3
• InChIKey: QVUNMWQRCFABKL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(propan-2-yl)piperidin-3-ol
• IUPAC Traditional name: 1-isopropylpiperidin-3-ol
• Synonyms: 1-isopropylpiperidin-3-ol

Database IDs

• CAS Number: 3554-62-9

CALCULATED PROPERTIES

• Acid pKa: 14.88605
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.6885378
• LogD (pH = 7.4): -1.567743
• Log P: 0.739015
• Molar Refractivity: 42.659 cm^3
• Polarizability: 16.88203 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%