2,6-dimethyl-4-(piperidin-1-ylmethyl)phenol

• ChemBase ID: 310749
• Molecular Formular: C14H21NO
• Molecular Mass: 219.32264
• Monoisotopic Mass: 219.1623143
• SMILES: c1(c(cc(cc1C)CN1CCCCC1)C)O
• Canonical SMILES: Cc1cc(CN2CCCCC2)cc(c1O)C
• InChI: InChI=1S/C14H21NO/c1-11-8-13(9-12(2)14(11)16)10-15-6-4-3-5-7-15/h8-9,16H,3-7,10H2,1-2H3
• InChIKey: FZAJUZSNGXVCTM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dimethyl-4-(piperidin-1-ylmethyl)phenol
• IUPAC Traditional name: 2,6-dimethyl-4-(piperidin-1-ylmethyl)phenol
• Synonyms: 2,6-dimethyl-4-(1-piperidinylmethyl)phenol

Database IDs

• CAS Number: 42900-97-0
• MDL Number: MFCD02224567

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.27748004
• LogD (pH = 7.4): 1.8607644
• Log P: 3.23632
• Molar Refractivity: 68.806 cm^3
• Polarizability: 26.326733 Å^3
• Polar Surface Area: 23.47 Å^2