1-propylpiperidin-4-ol

• ChemBase ID: 263711
• Molecular Formular: C8H17NO
• Molecular Mass: 143.22668
• Monoisotopic Mass: 143.13101417
• SMILES: N1(CCC(CC1)O)CCC
• Canonical SMILES: CCCN1CCC(CC1)O
• InChI: InChI=1S/C8H17NO/c1-2-5-9-6-3-8(10)4-7-9/h8,10H,2-7H2,1H3
• InChIKey: BUGNITMKWYOPCU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-propylpiperidin-4-ol
• IUPAC Traditional name: 1-propylpiperidin-4-ol
• Synonyms: 1-propylpiperidin-4-ol

Database IDs

• MDL Number: MFCD11149367
• PubChem SID: 164319621
• PubChem CID: 13665269

CALCULATED PROPERTIES

• Acid pKa: 15.179291
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.005234
• LogD (pH = 7.4): -1.7444382
• Log P: 0.3875594
• Molar Refractivity: 42.985 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): 0.352

Product Information

• Purity: 95%