2-(2,6-dimethylpiperidin-1-yl)ethan-1-ol

• ChemBase ID: 72261
• Molecular Formular: C9H19NO
• Molecular Mass: 157.25326
• Monoisotopic Mass: 157.14666423
• SMILES: N1(C(CCCC1C)C)CCO
• Canonical SMILES: OCCN1C(C)CCCC1C
• InChI: InChI=1S/C9H19NO/c1-8-4-3-5-9(2)10(8)6-7-11/h8-9,11H,3-7H2,1-2H3
• InChIKey: NJBXJPLWOZJAJJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,6-dimethylpiperidin-1-yl)ethan-1-ol
• IUPAC Traditional name: 2-(2,6-dimethylpiperidin-1-yl)ethanol
• Synonyms: 2-(2,6-Dimethylpiperidin-1-yl)ethanol

Database IDs

• PubChem SID: 162104087
• PubChem CID: 12612321

CALCULATED PROPERTIES

• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• Acid pKa: 15.592217
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.2782931
• LogD (pH = 7.4): -1.385901
• Log P: 1.1835836
• Molar Refractivity: 47.26 cm^3
• Polarizability: 18.725828 Å^3

PROPERTIES

Safety Information

• Storage Warning: IRRITANT