3-phenoxypiperidine

• ChemBase ID: 274405
• Molecular Formular: C11H15NO
• Molecular Mass: 177.2429
• Monoisotopic Mass: 177.11536411
• SMILES: N1CC(Oc2ccccc2)CCC1
• Canonical SMILES: C1CCC(CN1)Oc1ccccc1
• InChI: InChI=1S/C11H15NO/c1-2-5-10(6-3-1)13-11-7-4-8-12-9-11/h1-3,5-6,11-12H,4,7-9H2
• InChIKey: QDPNIJKUTWDGMV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-phenoxypiperidine
• IUPAC Traditional name: 3-phenoxypiperidine
• Synonyms: 3-phenoxypiperidine; 3-Phenoxypiperidine; 3-苯氧基哌啶

Database IDs

• CAS Number: 151666-08-9
• MDL Number: MFCD04117746
• PubChem SID: 164330315
• PubChem CID: 3730581

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.2514752
• LogD (pH = 7.4): -0.132341
• Log P: 1.9167356
• Molar Refractivity: 52.4568 cm^3
• Polarizability: 21.025192 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Refractive Index: 1.5430
• Hydrophobicity(logP): 2.22

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319
• GHS Precautionary statements: P280G-P305+P351+P338

Product Information

• Purity: 95%; 97%; 98%