1-(2-methoxyethyl)piperidin-3-ol

• ChemBase ID: 275366
• Molecular Formular: C8H17NO2
• Molecular Mass: 159.22608
• Monoisotopic Mass: 159.12592879
• SMILES: N1(CC(O)CCC1)CCOC
• Canonical SMILES: COCCN1CCCC(C1)O
• InChI: InChI=1S/C8H17NO2/c1-11-6-5-9-4-2-3-8(10)7-9/h8,10H,2-7H2,1H3
• InChIKey: JPLSYUDDYUGXQU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methoxyethyl)piperidin-3-ol
• IUPAC Traditional name: 1-(2-methoxyethyl)piperidin-3-ol
• Synonyms: 1-(2-methoxyethyl)piperidin-3-ol

Database IDs

• MDL Number: MFCD16153091
• PubChem SID: 164331276
• PubChem CID: 54593652

CALCULATED PROPERTIES

• Acid pKa: 14.8863735
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.2190151
• LogD (pH = 7.4): -1.5748397
• Log P: -0.08134352
• Molar Refractivity: 44.5351 cm^3
• Polarizability: 17.57783 Å^3
• Polar Surface Area: 32.7 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.36

Product Information

• Purity: 95%