4-(1-methyl-1,2,3,6-tetrahydropyridin-4-yl)phenol

• ChemBase ID: 312233
• Molecular Formular: C12H15NO
• Molecular Mass: 189.2536
• Monoisotopic Mass: 189.11536411
• SMILES: C1(=CCN(CC1)C)c1ccc(cc1)O
• Canonical SMILES: CN1CCC(=CC1)c1ccc(cc1)O
• InChI: InChI=1S/C12H15NO/c1-13-8-6-11(7-9-13)10-2-4-12(14)5-3-10/h2-6,14H,7-9H2,1H3
• InChIKey: GIGCUVKCMPXMAZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(1-methyl-1,2,3,6-tetrahydropyridin-4-yl)phenol
• IUPAC Traditional name: 4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenol
• Synonyms: 4-(1-methyl-1,2,3,6-tetrahydropyridin-4-yl)phenol hydrochloride

Database IDs

• CAS Number: 5233-54-5
• MDL Number: MFCD08070822

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.8057941
• LogD (pH = 7.4): 0.9458875
• Log P: 1.808343
• Molar Refractivity: 59.4506 cm^3
• Polarizability: 22.63402 Å^3
• Polar Surface Area: 23.47 Å^2