4-(4-chlorophenoxy)piperidine

• ChemBase ID: 297692
• Molecular Formular: C11H14ClNO
• Molecular Mass: 211.68796
• Monoisotopic Mass: 211.07639175
• SMILES: c1cc(ccc1OC1CCNCC1)Cl
• Canonical SMILES: Clc1ccc(cc1)OC1CCNCC1
• InChI: InChI=1S/C11H14ClNO/c12-9-1-3-10(4-2-9)14-11-5-7-13-8-6-11/h1-4,11,13H,5-8H2
• InChIKey: VOQMPZXAFLPTMM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-chlorophenoxy)piperidine
• IUPAC Traditional name: 4-(4-chlorophenoxy)piperidine
• Synonyms: 4-(4-chlorophenoxy)piperidine; 4-(4-Chlorophenoxy)piperidine; 4-(4-CHLORO-PHENOXY)-PIPERIDINE; 4-(4-氯苯氧基)哌啶

Database IDs

• CAS Number: 97839-99-1; 817186-93-9
• MDL Number: MFCD04113544
• PubChem SID: 180683223
• PubChem CID: 5199889

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.1440213
• LogD (pH = 7.4): -0.2997027
• Log P: 2.0633774
• Molar Refractivity: 57.4824 cm^3
• Polarizability: 22.864407 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: 98%