1-(piperidin-4-yl)propan-1-ol

• ChemBase ID: 143685
• Molecular Formular: C8H17NO
• Molecular Mass: 143.22668
• Monoisotopic Mass: 143.13101417
• SMILES: CCC(C1CCNCC1)O
• Canonical SMILES: CCC(C1CCNCC1)O
• InChI: InChI=1S/C8H17NO/c1-2-8(10)7-3-5-9-6-4-7/h7-10H,2-6H2,1H3
• InChIKey: WDOWPHYNSYXXHJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(piperidin-4-yl)propan-1-ol
• IUPAC Traditional name: 1-(piperidin-4-yl)propan-1-ol
• Synonyms: 1-Piperidin-4-ylpropan-1-ol; 1-piperidin-4-ylpropan-1-ol

Database IDs

• CAS Number: 24152-48-5
• MDL Number: MFCD09055257
• PubChem SID: 162237902
• PubChem CID: 18918621

CALCULATED PROPERTIES

• Acid pKa: 14.955791
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.696202
• LogD (pH = 7.4): -2.0256088
• Log P: 0.5248793
• Molar Refractivity: 42.1785 cm^3
• Polarizability: 16.88203 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C8H17NO

DETAILS

Sigma Aldrich - CBR00138

Other Notes
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Legal Information
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