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

• ChemBase ID: 312291
• Molecular Formular: C9H19NO
• Molecular Mass: 157.25326
• Monoisotopic Mass: 157.14666423
• SMILES: N1(CC(CO)C)CCCCC1
• Canonical SMILES: OCC(CN1CCCCC1)C
• InChI: InChI=1S/C9H19NO/c1-9(8-11)7-10-5-3-2-4-6-10/h9,11H,2-8H2,1H3
• InChIKey: OYKSDWPYPAQPRX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 62101-67-1
• MDL Number: MFCD08061223

CALCULATED PROPERTIES

• Acid pKa: 15.440297
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.561456
• LogD (pH = 7.4): -1.5819632
• Log P: 0.88971686
• Molar Refractivity: 47.7042 cm^3
• Polarizability: 18.725828 Å^3
• Polar Surface Area: 23.47 Å^2

PROPERTIES

Product Information

• Purity: 97%