4-(piperidin-4-yloxy)benzoic acid

• ChemBase ID: 309255
• Molecular Formular: C12H15NO3
• Molecular Mass: 221.2524
• Monoisotopic Mass: 221.10519335
• SMILES: C(=O)(c1ccc(OC2CCNCC2)cc1)O
• Canonical SMILES: OC(=O)c1ccc(cc1)OC1CCNCC1
• InChI: InChI=1S/C12H15NO3/c14-12(15)9-1-3-10(4-2-9)16-11-5-7-13-8-6-11/h1-4,11,13H,5-8H2,(H,14,15)
• InChIKey: XQXZKPIMWKGLGO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 912950-02-8
• MDL Number: MFCD14702884

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.3791252
• LogD (pH = 7.4): -1.355954
• Log P: -1.3555498
• Molar Refractivity: 59.9338 cm^3
• Polarizability: 23.341465 Å^3
• Polar Surface Area: 58.56 Å^2