2-methyl-3-(2-methylpiperidin-1-yl)propan-1-ol

• ChemBase ID: 801054
• Molecular Formular: C10H21NO
• Molecular Mass: 171.27984
• Monoisotopic Mass: 171.1623143
• SMILES: C(C(CN1CCCCC1C)C)O
• Canonical SMILES: OCC(CN1CCCCC1C)C
• InChI: InChI=1S/C10H21NO/c1-9(8-12)7-11-6-4-3-5-10(11)2/h9-10,12H,3-8H2,1-2H3
• InChIKey: MQQVQNOUOQRBBK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-3-(2-methylpiperidin-1-yl)propan-1-ol
• IUPAC Traditional name: 2-methyl-3-(2-methylpiperidin-1-yl)propan-1-ol
• Synonyms: 2-Methyl-3-(2-methyl-piperidin-1-yl)-propan-1-ol

Database IDs

• CAS Number: 60792-85-0

CALCULATED PROPERTIES

• Acid pKa: 15.440284
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.1684766
• LogD (pH = 7.4): -1.4159209
• Log P: 1.3062919
• Molar Refractivity: 52.123 cm^3
• Polarizability: 20.570166 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%