1-(3-chlorophenyl)-4-propylpiperazine

• ChemBase ID: 164648
• Molecular Formular: C13H19ClN2
• Molecular Mass: 238.75636
• Monoisotopic Mass: 238.1236763
• SMILES: C1N(CCN(C1)c1cc(ccc1)Cl)CCC
• Canonical SMILES: CCCN1CCN(CC1)c1cccc(c1)Cl
• InChI: InChI=1S/C13H19ClN2/c1-2-6-15-7-9-16(10-8-15)13-5-3-4-12(14)11-13/h3-5,11H,2,6-10H2,1H3
• InChIKey: GSNOQYGWFHFQEV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-chlorophenyl)-4-propylpiperazine
• IUPAC Traditional name: 1-(3-chlorophenyl)-4-propylpiperazine
• Synonyms: 1-(3-Chlorophenyl)-4-propylpiperazine

Database IDs

• CAS Number: 144146-59-8
• PubChem SID: 162258783
• PubChem CID: 14960353

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.6252922
• LogD (pH = 7.4): 2.3909242
• Log P: 3.4117842
• Molar Refractivity: 70.6141 cm^3
• Polarizability: 27.019783 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - C380100

1-(3-Chlorophenyl)-4-propylpiperazine is a 4-substituted chlorophenylpiperazine with affinity for 5-HT1A and 5-HT2 receptors.

REFERENCES

• Mokrosz, J.L. et al.: Pol. J. Pharmacol. Pharm., 44, 595 (1992)
• Misztal, S. et al.: Med. Chem. Res., 2, 82 (1992)