2-(piperidin-1-ylmethyl)phenol

• ChemBase ID: 307733
• Molecular Formular: C12H17NO
• Molecular Mass: 191.26948
• Monoisotopic Mass: 191.13101417
• SMILES: c1(CN2CCCCC2)c(O)cccc1
• Canonical SMILES: Oc1ccccc1CN1CCCCC1
• InChI: InChI=1S/C12H17NO/c14-12-7-3-2-6-11(12)10-13-8-4-1-5-9-13/h2-3,6-7,14H,1,4-5,8-10H2
• InChIKey: FTKQHXNOTYHHLE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(piperidin-1-ylmethyl)phenol
• IUPAC Traditional name: 2-(piperidin-1-ylmethyl)phenol
• Synonyms: 2-(piperidin-1-ylmethyl)phenol

Database IDs

• CAS Number: 4764-13-0
• MDL Number: MFCD01451669

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.9068977
• LogD (pH = 7.4): 0.38209713
• Log P: 1.2292074
• Molar Refractivity: 58.7236 cm^3
• Polarizability: 22.792603 Å^3
• Polar Surface Area: 23.47 Å^2