(1-ethylpiperidin-3-yl)methanol

• ChemBase ID: 307024
• Molecular Formular: C8H17NO
• Molecular Mass: 143.22668
• Monoisotopic Mass: 143.13101417
• SMILES: N1(CC(CO)CCC1)CC
• Canonical SMILES: OCC1CCCN(C1)CC
• InChI: InChI=1S/C8H17NO/c1-2-9-5-3-4-8(6-9)7-10/h8,10H,2-7H2,1H3
• InChIKey: UFFXQKBVALLYQW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-ethylpiperidin-3-yl)methanol
• IUPAC Traditional name: (1-ethylpiperidin-3-yl)methanol
• Synonyms: (1-ethylpiperidin-3-yl)methanol

Database IDs

• CAS Number: 54525-19-8
• MDL Number: MFCD08059812

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.0464957
• LogD (pH = 7.4): -1.8628777
• Log P: 0.3671945
• Molar Refractivity: 43.1802 cm^3
• Polarizability: 16.88203 Å^3
• Polar Surface Area: 23.47 Å^2