3-[3-(piperidin-1-yl)propoxy]propan-1-ol

• ChemBase ID: 263816
• Molecular Formular: C11H23NO2
• Molecular Mass: 201.30582
• Monoisotopic Mass: 201.17287898
• SMILES: N1(CCCOCCCO)CCCCC1
• Canonical SMILES: OCCCOCCCN1CCCCC1
• InChI: InChI=1S/C11H23NO2/c13-9-5-11-14-10-4-8-12-6-2-1-3-7-12/h13H,1-11H2
• InChIKey: SDNTUTORVOONKH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[3-(piperidin-1-yl)propoxy]propan-1-ol
• IUPAC Traditional name: 3-[3-(piperidin-1-yl)propoxy]propan-1-ol
• Synonyms: 3-[3-(piperidin-1-yl)propoxy]propan-1-ol

Database IDs

• MDL Number: MFCD13196176
• PubChem SID: 164319726
• PubChem CID: 45792427

CALCULATED PROPERTIES

• Acid pKa: 15.899711
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.993031
• LogD (pH = 7.4): -1.8208753
• Log P: 0.42337754
• Molar Refractivity: 59.1967 cm^3
• Polarizability: 23.097706 Å^3
• Polar Surface Area: 32.7 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.394

Product Information

• Purity: 95%