2-(piperidin-4-yloxy)benzoic acid

• ChemBase ID: 309312
• Molecular Formular: C12H15NO3
• Molecular Mass: 221.2524
• Monoisotopic Mass: 221.10519335
• SMILES: c1(C(=O)O)c(OC2CCNCC2)cccc1
• Canonical SMILES: OC(=O)c1ccccc1OC1CCNCC1
• InChI: InChI=1S/C12H15NO3/c14-12(15)10-3-1-2-4-11(10)16-9-5-7-13-8-6-9/h1-4,9,13H,5-8H2,(H,14,15)
• InChIKey: RIHCGFWIHQZMEA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(piperidin-4-yloxy)benzoic acid
• IUPAC Traditional name: 2-(piperidin-4-yloxy)benzoic acid
• Synonyms: 2-(4-piperidinyloxy)benzoic acid

Database IDs

• CAS Number: 1243250-02-3
• MDL Number: MFCD17078864

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.3603263
• LogD (pH = 7.4): -1.3560419
• Log P: -1.3552554
• Molar Refractivity: 59.9338 cm^3
• Polarizability: 23.344194 Å^3
• Polar Surface Area: 58.56 Å^2