4-[2-(piperidin-2-yl)ethyl]phenol

• ChemBase ID: 307089
• Molecular Formular: C13H19NO
• Molecular Mass: 205.29606
• Monoisotopic Mass: 205.14666423
• SMILES: N1C(CCc2ccc(cc2)O)CCCC1
• Canonical SMILES: Oc1ccc(cc1)CCC1CCCCN1
• InChI: InChI=1S/C13H19NO/c15-13-8-5-11(6-9-13)4-7-12-3-1-2-10-14-12/h5-6,8-9,12,14-15H,1-4,7,10H2
• InChIKey: WRXOKPCLHZVBOM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(piperidin-2-yl)ethyl]phenol
• IUPAC Traditional name: 4-[2-(piperidin-2-yl)ethyl]phenol
• Synonyms: 4-(2-piperidin-2-ylethyl)phenol

Database IDs

• CAS Number: 408312-63-0
• MDL Number: MFCD08059832

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.35863125
• LogD (pH = 7.4): 0.1371425
• Log P: 2.2242205
• Molar Refractivity: 62.4551 cm^3
• Polarizability: 24.561935 Å^3
• Polar Surface Area: 32.26 Å^2