4-(3,4-dichlorophenoxy)piperidine

• ChemBase ID: 812764
• Molecular Formular: C11H13Cl2NO
• Molecular Mass: 246.13302
• Monoisotopic Mass: 245.0374194
• SMILES: C1(CCNCC1)Oc1cc(c(cc1)Cl)Cl
• Canonical SMILES: Clc1ccc(cc1Cl)OC1CCNCC1
• InChI: InChI=1S/C11H13Cl2NO/c12-10-2-1-9(7-11(10)13)15-8-3-5-14-6-4-8/h1-2,7-8,14H,3-6H2
• InChIKey: DQNSSLUVUXZLEO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(3,4-dichlorophenoxy)piperidine
• IUPAC Traditional name: 4-(3,4-dichlorophenoxy)piperidine
• Synonyms: 4-(3,4-DICHLOROPHENOXY)PIPERIDINE

Database IDs

• CAS Number: 245057-73-2

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.5399766
• LogD (pH = 7.4): 0.30434197
• Log P: 2.667422
• Molar Refractivity: 62.2872 cm^3
• Polarizability: 24.789679 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%