4-(2-chloro-5-methylphenoxy)piperidine

• ChemBase ID: 297598
• Molecular Formular: C12H16ClNO
• Molecular Mass: 225.71454
• Monoisotopic Mass: 225.09204182
• SMILES: Cc1ccc(c(c1)OC1CCNCC1)Cl
• Canonical SMILES: Clc1ccc(cc1OC1CCNCC1)C
• InChI: InChI=1S/C12H16ClNO/c1-9-2-3-11(13)12(8-9)15-10-4-6-14-7-5-10/h2-3,8,10,14H,4-7H2,1H3
• InChIKey: MTMIZXIWQUAWTF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-chloro-5-methylphenoxy)piperidine
• IUPAC Traditional name: 4-(2-chloro-5-methylphenoxy)piperidine
• Synonyms: 4-(2-Chloro-5-methylphenoxy)piperidine; 4-(2-氯-5甲基苯氧基)哌啶

Database IDs

• CAS Number: 254883-43-7
• MDL Number: MFCD06246346
• PubChem SID: 180683129
• PubChem CID: 17195100

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.63059986
• LogD (pH = 7.4): 0.21371934
• Log P: 2.576799
• Molar Refractivity: 62.5236 cm^3
• Polarizability: 24.651924 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

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: 99%