1-benzyl-4-(2-chloroethyl)piperazine

• ChemBase ID: 307540
• Molecular Formular: C13H19ClN2
• Molecular Mass: 238.75636
• Monoisotopic Mass: 238.1236763
• SMILES: N1(Cc2ccccc2)CCN(CC1)CCCl
• Canonical SMILES: ClCCN1CCN(CC1)Cc1ccccc1
• InChI: InChI=1S/C13H19ClN2/c14-6-7-15-8-10-16(11-9-15)12-13-4-2-1-3-5-13/h1-5H,6-12H2
• InChIKey: SLOLBVBZWFLGMO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzyl-4-(2-chloroethyl)piperazine
• IUPAC Traditional name: 1-benzyl-4-(2-chloroethyl)piperazine
• Synonyms: 1-benzyl-4-(2-chloroethyl)piperazine

Database IDs

• CAS Number: 7667-37-0
• MDL Number: MFCD06742216

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.27034408
• LogD (pH = 7.4): 1.9680302
• Log P: 2.426252
• Molar Refractivity: 69.9941 cm^3
• Polarizability: 27.36167 Å^3
• Polar Surface Area: 6.48 Å^2