3-methyl-1-(piperidin-4-yl)butan-1-ol

• ChemBase ID: 144155
• Molecular Formular: C10H21NO
• Molecular Mass: 171.27984
• Monoisotopic Mass: 171.1623143
• SMILES: CC(C)CC(C1CCNCC1)O
• Canonical SMILES: OC(C1CCNCC1)CC(C)C
• InChI: InChI=1S/C10H21NO/c1-8(2)7-10(12)9-3-5-11-6-4-9/h8-12H,3-7H2,1-2H3
• InChIKey: HGFKBMNAAHURFG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyl-1-(piperidin-4-yl)butan-1-ol
• IUPAC Traditional name: 3-methyl-1-(piperidin-4-yl)butan-1-ol
• Synonyms: 3-Methyl-1-piperidin-4-ylbutan-1-ol; 3-methyl-1-piperidin-4-ylbutan-1-ol

Database IDs

• CAS Number: 915921-27-6
• MDL Number: MFCD08059782
• PubChem SID: 162238372
• PubChem CID: 44827669

CALCULATED PROPERTIES

• Acid pKa: 14.938713
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.9646143
• LogD (pH = 7.4): -1.2940208
• Log P: 1.2564671
• Molar Refractivity: 51.3281 cm^3
• Polarizability: 20.570166 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C10H21NO

DETAILS

Sigma Aldrich - CBR00467

Other Notes
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Legal Information
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