10-[3-(piperazin-1-yl)propyl]-10H-phenothiazine

• ChemBase ID: 166541
• Molecular Formular: C19H23N3S
• Molecular Mass: 325.47102
• Monoisotopic Mass: 325.16126875
• SMILES: c1ccc2c(c1)N(c1c(S2)cccc1)CCCN1CCNCC1
• Canonical SMILES: N1CCN(CC1)CCCN1c2ccccc2Sc2c1cccc2
• InChI: InChI=1S/C19H23N3S/c1-3-8-18-16(6-1)22(17-7-2-4-9-19(17)23-18)13-5-12-21-14-10-20-11-15-21/h1-4,6-9,20H,5,10-15H2
• InChIKey: YWSUKAVVJWNXMP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 10-[3-(piperazin-1-yl)propyl]-10H-phenothiazine
• IUPAC Traditional name: 10-[3-(piperazin-1-yl)propyl]phenothiazine
• Synonyms: 10-[3-(1-Piperazinyl)propyl]-10H-phenothiazine; 10-(3-Piperazinylpropyl)phenothiazine; Demethylperazine; Desmethylperazine; Norperazine; N-Desmethyl Perazine

Database IDs

• CAS Number: 3240-48-0
• PubChem SID: 162260674
• PubChem CID: 151090

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.21183969
• LogD (pH = 7.4): 1.545443
• Log P: 3.3950272
• Molar Refractivity: 99.7069 cm^3
• Polarizability: 38.62667 Å^3
• Polar Surface Area: 18.51 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - D292180

A Perazine (P285800) metabolite.

REFERENCES

• Daniel, W., et al.: J. Pharm. Pharmacol., 52, 1473 (2000)
• Daniel, W., et al.: J. Pharm. Pharmacol., 53, 449 (2000)
• El Ela, A., et al.: J. Pharm. Pharmacol., 56, 967 (2000)
• Wojcikowski, J., et al.: Eur. Neuropsychopharmacol., 14, 199 (2000)