4-(3-methylphenoxy)piperidine

• ChemBase ID: 297696
• Molecular Formular: C12H17NO
• Molecular Mass: 191.26948
• Monoisotopic Mass: 191.13101417
• SMILES: Cc1cccc(c1)OC1CCNCC1
• Canonical SMILES: Cc1cccc(c1)OC1CCNCC1
• InChI: InChI=1S/C12H17NO/c1-10-3-2-4-12(9-10)14-11-5-7-13-8-6-11/h2-4,9,11,13H,5-8H2,1H3
• InChIKey: RTSXWJCYCFVWBU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(3-methylphenoxy)piperidine
• IUPAC Traditional name: 4-(3-methylphenoxy)piperidine
• Synonyms: 4-(3-methylphenoxy)piperidine; 4-(m-Tolyloxy)piperidine; 4-(3-Methylphenoxy)piperidine; 4-间甲苯氧基哌啶

Database IDs

• CAS Number: 63843-46-9
• MDL Number: MFCD06248345
• PubChem SID: 180683227
• PubChem CID: 17196730

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.2346445
• LogD (pH = 7.4): -0.390326
• Log P: 1.9727541
• Molar Refractivity: 57.7188 cm^3
• Polarizability: 22.791573 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 190-191°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: 97%