4-(4-chlorophenoxy)piperidine hydrochloride

• ChemBase ID: 17019
• Molecular Formular: C11H15Cl2NO
• Molecular Mass: 248.1489
• Monoisotopic Mass: 247.05306947
• SMILES: c1(OC2CCNCC2)ccc(cc1)Cl.Cl
• Canonical SMILES: Clc1ccc(cc1)OC1CCNCC1.Cl
• InChI: InChI=1S/C11H14ClNO.ClH/c12-9-1-3-10(4-2-9)14-11-5-7-13-8-6-11;/h1-4,11,13H,5-8H2;1H
• InChIKey: LELTYNIPRLOYCM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-chlorophenoxy)piperidine hydrochloride
• IUPAC Traditional name: 4-(4-chlorophenoxy)piperidine hydrochloride
• Synonyms: 4-(4-Chloro-phenoxy)-piperidine hydrochloride; 4-(4-Chlorophenoxy)piperidine hydrochloride

Database IDs

• CAS Number: 63843-53-8
• MDL Number: MFCD03840125
• PubChem SID: 160980326
• PubChem CID: 17749791

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

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false