4-(4-methoxyphenoxy)piperidine

• ChemBase ID: 20970
• Molecular Formular: C12H17NO2
• Molecular Mass: 207.26888
• Monoisotopic Mass: 207.12592879
• SMILES: N1CCC(Oc2ccc(cc2)OC)CC1
• Canonical SMILES: COc1ccc(cc1)OC1CCNCC1
• InChI: InChI=1S/C12H17NO2/c1-14-10-2-4-11(5-3-10)15-12-6-8-13-9-7-12/h2-5,12-13H,6-9H2,1H3
• InChIKey: HRMYEAQYLDCUGG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-methoxyphenoxy)piperidine
• IUPAC Traditional name: 4-(4-methoxyphenoxy)piperidine
• Synonyms: 4-(4-Methoxyphenoxy)piperidine; 4-(4-Methoxyphenoxy)piperidine; 4-(4-甲氧基苯氧基)哌啶

Database IDs

• CAS Number: 162402-33-7
• MDL Number: MFCD08059670
• PubChem SID: 160984277
• PubChem CID: 3409233

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.9057373
• LogD (pH = 7.4): -1.0614187
• Log P: 1.3016615
• Molar Refractivity: 59.1408 cm^3
• Polarizability: 23.526157 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 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: 99%
• Empirical Formula (Hill Notation): C12H17NO2

DETAILS

Sigma Aldrich - CBR00252

Other Notes
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Legal Information
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