4-(piperidin-4-yloxy)benzamide

• ChemBase ID: 101676
• Molecular Formular: C12H16N2O2
• Molecular Mass: 220.26764
• Monoisotopic Mass: 220.12117776
• SMILES: C(=O)(c1ccc(OC2CCNCC2)cc1)N
• Canonical SMILES: NC(=O)c1ccc(cc1)OC1CCNCC1
• InChI: InChI=1S/C12H16N2O2/c13-12(15)9-1-3-10(4-2-9)16-11-5-7-14-8-6-11/h1-4,11,14H,5-8H2,(H2,13,15)
• InChIKey: CFJXVQFODGXUOM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(piperidin-4-yloxy)benzamide
• IUPAC Traditional name: 4-(piperidin-4-yloxy)benzamide
• Synonyms: 4-(4-Piperidinyloxy)benzamide; 4-(4-Piperidinyloxy)benzamide; 4-(4-哌啶氧基)苯甲酰胺

Database IDs

• CAS Number: 609781-30-8
• MDL Number: MFCD08061080
• PubChem SID: 162088538
• PubChem CID: 18445306

CALCULATED PROPERTIES

• Acid pKa: 14.612214
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.8974257
• LogD (pH = 7.4): -2.0530987
• Log P: 0.30997303
• Molar Refractivity: 61.756 cm^3
• Polarizability: 23.841412 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 226-230°C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 95%; 98%