(1-ethylpiperidin-4-yl)methanol

• ChemBase ID: 69161
• Molecular Formular: C8H17NO
• Molecular Mass: 143.22668
• Monoisotopic Mass: 143.13101417
• SMILES: C(O)C1CCN(CC1)CC
• Canonical SMILES: OCC1CCN(CC1)CC
• InChI: InChI=1S/C8H17NO/c1-2-9-5-3-8(7-10)4-6-9/h8,10H,2-7H2,1H3
• InChIKey: FLOQYJOORROJQU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-ethylpiperidin-4-yl)methanol
• IUPAC Traditional name: (1-ethylpiperidin-4-yl)methanol
• Synonyms: (1-Ethylpiperidin-4-yl)methanol

Database IDs

• CAS Number: 90226-87-2
• MDL Number: MFCD08059823
• PubChem SID: 162034890
• PubChem CID: 15512642

CALCULATED PROPERTIES

• Acid pKa: 15.46719
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.0278013
• LogD (pH = 7.4): -1.6582782
• Log P: 0.32563776
• Molar Refractivity: 43.279 cm^3
• Polarizability: 16.88203 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 97%