1-(3,5-dichlorobenzoyl)piperazine hydrochloride

• ChemBase ID: 254661
• Molecular Formular: C11H13Cl3N2O
• Molecular Mass: 295.59272
• Monoisotopic Mass: 294.00934609
• SMILES: C(=O)(c1cc(cc(c1)Cl)Cl)N1CCNCC1.Cl
• Canonical SMILES: O=C(c1cc(Cl)cc(c1)Cl)N1CCNCC1.Cl
• InChI: InChI=1S/C11H12Cl2N2O.ClH/c12-9-5-8(6-10(13)7-9)11(16)15-3-1-14-2-4-15;/h5-7,14H,1-4H2;1H
• InChIKey: WMSCFRBAMVLHPZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3,5-dichlorobenzoyl)piperazine hydrochloride
• IUPAC Traditional name: 1-(3,5-dichlorobenzoyl)piperazine hydrochloride
• Synonyms: 1-[(3,5-dichlorophenyl)carbonyl]piperazine hydrochloride

Database IDs

• PubChem SID: 164310571
• PubChem CID: 24241960

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.3306121
• LogD (pH = 7.4): 1.3832781
• Log P: 1.9433992
• Molar Refractivity: 65.2948 cm^3
• Polarizability: 25.11776 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.286

Product Information

• Purity: 95%
• Salt Data: HCl