3-(2,4-dichlorophenoxy)piperidine hydrochloride

• ChemBase ID: 20849
• Molecular Formular: C11H14Cl3NO
• Molecular Mass: 282.59396
• Monoisotopic Mass: 281.01409711
• SMILES: c1(c(cc(cc1)Cl)Cl)OC1CNCCC1.Cl
• Canonical SMILES: Clc1ccc(c(c1)Cl)OC1CCCNC1.Cl
• InChI: InChI=1S/C11H13Cl2NO.ClH/c12-8-3-4-11(10(13)6-8)15-9-2-1-5-14-7-9;/h3-4,6,9,14H,1-2,5,7H2;1H
• InChIKey: UJQCTBDMARWOOY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2,4-dichlorophenoxy)piperidine hydrochloride
• IUPAC Traditional name: 3-(2,4-dichlorophenoxy)piperidine hydrochloride
• Synonyms: 3-(2,4-Dichlorophenoxy)piperidine hydrochloride

Database IDs

• MDL Number: MFCD09879208
• PubChem SID: 160984156
• PubChem CID: 45075386

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.035135366
• LogD (pH = 7.4): 1.1225464
• Log P: 3.124825
• Molar Refractivity: 62.0664 cm^3
• Polarizability: 24.779215 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false