4-(3-chlorophenoxy)piperidine hydrochloride

• ChemBase ID: 76257
• Molecular Formular: C11H15Cl2NO
• Molecular Mass: 248.1489
• Monoisotopic Mass: 247.05306947
• SMILES: N1CCC(Oc2cc(ccc2)Cl)CC1.Cl
• Canonical SMILES: Clc1cccc(c1)OC1CCNCC1.Cl
• InChI: InChI=1S/C11H14ClNO.ClH/c12-9-2-1-3-11(8-9)14-10-4-6-13-7-5-10;/h1-3,8,10,13H,4-7H2;1H
• InChIKey: RCKZZPLYUQTPMJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(3-chlorophenoxy)piperidine hydrochloride
• IUPAC Traditional name: 4-(3-chlorophenoxy)piperidine hydrochloride
• Synonyms: 4-(3-chlorophenoxy)piperidine hydrochloride

Database IDs

• MDL Number: MFCD03840130
• PubChem SID: 162041164
• PubChem CID: 2735316

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: 22.873432 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true