3-(piperidine-1-carbonyl)phenol

• ChemBase ID: 311203
• Molecular Formular: C12H15NO2
• Molecular Mass: 205.253
• Monoisotopic Mass: 205.11027873
• SMILES: C(=O)(N1CCCCC1)c1cc(O)ccc1
• Canonical SMILES: Oc1cccc(c1)C(=O)N1CCCCC1
• InChI: InChI=1S/C12H15NO2/c14-11-6-4-5-10(9-11)12(15)13-7-2-1-3-8-13/h4-6,9,14H,1-3,7-8H2
• InChIKey: QBMGIYKRXFEBPF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(piperidine-1-carbonyl)phenol
• IUPAC Traditional name: 3-(piperidine-1-carbonyl)phenol
• Synonyms: 3-(1-piperidinylcarbonyl)phenol

Database IDs

• CAS Number: 15504-60-6
• MDL Number: MFCD01017227

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.8178318
• LogD (pH = 7.4): 1.8018831
• Log P: 1.8180391
• Molar Refractivity: 59.0527 cm^3
• Polarizability: 22.242548 Å^3
• Polar Surface Area: 40.54 Å^2