2-(piperidin-3-yl)propan-2-ol

• ChemBase ID: 57425
• Molecular Formular: C8H17NO
• Molecular Mass: 143.22668
• Monoisotopic Mass: 143.13101417
• SMILES: C1CNCC(C1)C(C)(C)O
• Canonical SMILES: CC(C1CCCNC1)(O)C
• InChI: InChI=1S/C8H17NO/c1-8(2,10)7-4-3-5-9-6-7/h7,9-10H,3-6H2,1-2H3
• InChIKey: GWVNRACDDXBNBZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(piperidin-3-yl)propan-2-ol
• IUPAC Traditional name: 2-(piperidin-3-yl)propan-2-ol
• Synonyms: 2-Piperidin-3-ylpropan-2-ol; 2-Piperidin-3-ylpropan-2-ol

Database IDs

• CAS Number: 252723-21-0
• MDL Number: MFCD09864366
• PubChem SID: 162062188
• PubChem CID: 45157108

CALCULATED PROPERTIES

• Acid pKa: 15.02928
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.894007
• LogD (pH = 7.4): -2.1843162
• Log P: 0.32449028
• Molar Refractivity: 42.1939 cm^3
• Polarizability: 16.88203 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Empirical Formula (Hill Notation): C8H17NO

DETAILS

Sigma Aldrich - CBR00013

Other Notes
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Legal Information
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