1-propylpiperidin-3-ol

• ChemBase ID: 275365
• Molecular Formular: C8H17NO
• Molecular Mass: 143.22668
• Monoisotopic Mass: 143.13101417
• SMILES: N1(CC(O)CCC1)CCC
• Canonical SMILES: CCCN1CCCC(C1)O
• InChI: InChI=1S/C8H17NO/c1-2-5-9-6-3-4-8(10)7-9/h8,10H,2-7H2,1H3
• InChIKey: AZQRDHDQFFRTTI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-propylpiperidin-3-ol
• IUPAC Traditional name: 1-propylpiperidin-3-ol
• Synonyms: 1-propylpiperidin-3-ol

Database IDs

• MDL Number: MFCD16153145
• PubChem SID: 164331275
• PubChem CID: 15105446

CALCULATED PROPERTIES

• Acid pKa: 14.886567
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.5756671
• LogD (pH = 7.4): -1.4220934
• Log P: 0.84496236
• Molar Refractivity: 42.7642 cm^3
• Polarizability: 16.88203 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.235

Product Information

• Purity: 95%