1-(2-chlorobenzoyl)piperazine

• ChemBase ID: 258110
• Molecular Formular: C11H13ClN2O
• Molecular Mass: 224.68672
• Monoisotopic Mass: 224.07164073
• SMILES: C(=O)(c1c(Cl)cccc1)N1CCNCC1
• Canonical SMILES: Clc1ccccc1C(=O)N1CCNCC1
• InChI: InChI=1S/C11H13ClN2O/c12-10-4-2-1-3-9(10)11(15)14-7-5-13-6-8-14/h1-4,13H,5-8H2
• InChIKey: UKXGHBPPSTVPJO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-chlorobenzoyl)piperazine
• IUPAC Traditional name: 1-(2-chlorobenzoyl)piperazine
• Synonyms: 1-(2-chlorobenzoyl)piperazine

Database IDs

• CAS Number: 13754-45-5
• MDL Number: MFCD04116574
• PubChem SID: 164314020
• PubChem CID: 2060585

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.93465626
• LogD (pH = 7.4): 0.7792338
• Log P: 1.3393545
• Molar Refractivity: 60.49 cm^3
• Polarizability: 23.216047 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.547

Product Information

• Purity: 95%