4-[2-(piperidin-1-yl)ethoxy]phenol

• ChemBase ID: 811847
• Molecular Formular: C13H19NO2
• Molecular Mass: 221.29546
• Monoisotopic Mass: 221.14157885
• SMILES: c1(ccc(cc1)OCCN1CCCCC1)O
• Canonical SMILES: Oc1ccc(cc1)OCCN1CCCCC1
• InChI: InChI=1S/C13H19NO2/c15-12-4-6-13(7-5-12)16-11-10-14-8-2-1-3-9-14/h4-7,15H,1-3,8-11H2
• InChIKey: XGMJHNYRDUELOH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(piperidin-1-yl)ethoxy]phenol
• IUPAC Traditional name: 4-[2-(piperidin-1-yl)ethoxy]phenol
• Synonyms: 4-[2-(1-PIPERIDINYL)ETHOXY] PHENOL

Database IDs

• CAS Number: 100238-42-4

CALCULATED PROPERTIES

• Acid pKa: 9.959369
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.71606445
• LogD (pH = 7.4): 0.95248955
• Log P: 2.1145911
• Molar Refractivity: 64.6632 cm^3
• Polarizability: 25.297 Å^3
• Polar Surface Area: 32.7 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%