1-[3-[3-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]-2-hydroxypropoxy]-2-hydroxypropoxy]butan-2-ol;bis(1-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]-2-(2-methoxyethoxy)ethanone);1-[2-hydroxy-3-[2-hydroxy-3-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]propoxy]propoxy]butan-2-ol;10-[3-[4-[2-(2-methoxyethoxy)ethyl]piperazin-1-yl]propyl]-2-(trifluoromethyl)phenothiazine;10-[3-[4-[2-methoxy-3-[2-methoxy-3-[2-methoxy-3-(2-methoxyethoxy)propoxy]propoxy]propyl]piperazin-1-yl]propyl]-2-(trifluoromethyl)phenothiazine

C167H228Cl3F9N18O25S6 — CID 161313077

About 1-[3-[3-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]-2-hydroxypropoxy]-2-hydroxypropoxy]butan-2-ol;bis(1-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]-2-(2-methoxyethoxy)ethanone);1-[2-hydroxy-3-[2-hydroxy-3-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]propoxy]propoxy]butan-2-ol;10-[3-[4-[2-(2-methoxyethoxy)ethyl]piperazin-1-yl]propyl]-2-(trifluoromethyl)phenothiazine;10-[3-[4-[2-methoxy-3-[2-methoxy-3-[2-methoxy-3-(2-methoxyethoxy)propoxy]propoxy]propyl]piperazin-1-yl]propyl]-2-(trifluoromethyl)phenothiazine

1-[3-[3-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]-2-hydroxypropoxy]-2-hydroxypropoxy]butan-2-ol;bis(1-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]-2-(2-methoxyethoxy)ethanone);1-[2-hydroxy-3-[2-hydroxy-3-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]propoxy]propoxy]butan-2-ol;10-[3-[4-[2-(2-methoxyethoxy)ethyl]piperazin-1-yl]propyl]-2-(trifluoromethyl)phenothiazine;10-[3-[4-[2-methoxy-3-[2-methoxy-3-[2-methoxy-3-(2-methoxyethoxy)propoxy]propoxy]propyl]piperazin-1-yl]propyl]-2-(trifluoromethyl)phenothiazine (PubChem CID 161313077) has the molecular formula C167H228Cl3F9N18O25S6 and a molecular weight of 3357.50 g/mol. Its IUPAC name is 1-[3-[3-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]-2-hydroxypropoxy]-2-hydroxypropoxy]butan-2-ol;bis(1-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]-2-(2-methoxyethoxy)ethanone);1-[2-hydroxy-3-[2-hydroxy-3-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]propoxy]propoxy]butan-2-ol;10-[3-[4-[2-(2-methoxyethoxy)ethyl]piperazin-1-yl]propyl]-2-(trifluoromethyl)phenothiazine;10-[3-[4-[2-methoxy-3-[2-methoxy-3-[2-methoxy-3-(2-methoxyethoxy)propoxy]propoxy]propyl]piperazin-1-yl]propyl]-2-(trifluoromethyl)phenothiazine.

Molecular Properties

• Compound Name: 1-[3-[3-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]-2-hydroxypropoxy]-2-hydroxypropoxy]butan-2-ol;bis(1-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]-2-(2-methoxyethoxy)ethanone);1-[2-hydroxy-3-[2-hydroxy-3-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]propoxy]propoxy]butan-2-ol;10-[3-[4-[2-(2-methoxyethoxy)ethyl]piperazin-1-yl]propyl]-2-(trifluoromethyl)phenothiazine;10-[3-[4-[2-methoxy-3-[2-methoxy-3-[2-methoxy-3-(2-methoxyethoxy)propoxy]propoxy]propyl]piperazin-1-yl]propyl]-2-(trifluoromethyl)phenothiazine
• PubChem CID: 161313077
• Molecular Formula: C167H228Cl3F9N18O25S6
• Molecular Weight: 3357.50 g/mol
• Exact Mass: 3353.44
• IUPAC Name: 1-[3-[3-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]-2-hydroxypropoxy]-2-hydroxypropoxy]butan-2-ol;bis(1-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]-2-(2-methoxyethoxy)ethanone);1-[2-hydroxy-3-[2-hydroxy-3-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]propoxy]propoxy]butan-2-ol;10-[3-[4-[2-(2-methoxyethoxy)ethyl]piperazin-1-yl]propyl]-2-(trifluoromethyl)phenothiazine;10-[3-[4-[2-methoxy-3-[2-methoxy-3-[2-methoxy-3-(2-methoxyethoxy)propoxy]propoxy]propyl]piperazin-1-yl]propyl]-2-(trifluoromethyl)phenothiazine
• SMILES: CCC(O)COCC(O)COCC(O)CN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1.CCC(O)COCC(O)COCC(O)CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1.COCCOCC(=O)N1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1.COCCOCC(=O)N1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1.COCCOCC(COCC(COCC(CN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1)OC)OC)OC.COCCOCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1
• InChI: InChI=1S/C35H52F3N3O7S.C30H42F3N3O5S.C29H42ClN3O5S.C25H32F3N3O2S.2C24H30ClN3O3S/c1-42-18-19-46-23-29(44-3)24-48-26-30(45-4)25-47-22-28(43-2)21-40-16-14-39(15-17-40)12-7-13-41-31-8-5-6-9-33(31)49-34-11-10-27(20-32(34)41)35(36,37)38;1-2-23(37)18-40-20-25(39)21-41-19-24(38)17-35-14-12-34(13-15-35)10-5-11-36-26-6-3-4-7-28(26)42-29-9-8-22(16-27(29)36)30(31,32)33;1-2-23(34)18-37-20-25(36)21-38-19-24(35)17-32-14-12-31(13-15-32)10-5-11-33-26-6-3-4-7-28(26)39-29-9-8-22(30)16-27(29)33;1-32-17-18-33-16-15-30-13-11-29(12-14-30)9-4-10-31-21-5-2-3-6-23(21)34-24-8-7-20(19-22(24)31)25(26,27)28;2*1-30-15-16-31-18-24(29)27-13-11-26(12-14-27)9-4-10-28-20-5-2-3-6-22(20)32-23-8-7-19(25)17-21(23)28/h5-6,8-11,20,28-30H,7,12-19,21-26H2,1-4H3;3-4,6-9,16,23-25,37-39H,2,5,10-15,17-21H2,1H3;3-4,6-9,16,23-25,34-36H,2,5,10-15,17-21H2,1H3;2-3,5-8,19H,4,9-18H2,1H3;2*2-3,5-8,17H,4,9-16,18H2,1H3
• InChIKey: VJDKZEKVJIREPY-UHFFFAOYSA-N
• XLogP: 25.63
• TPSA: 370.75 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 47
• Rotatable Bonds: 80
• Heavy Atoms: 228
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3357.50
LogP ≤ 5	25.63
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	47

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]-2-hydroxypropoxy]-2-hydroxypropoxy]butan-2-ol;bis(1-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]-2-(2-methoxyethoxy)ethanone);1-[2-hydroxy-3-[2-hydroxy-3-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]propoxy]propoxy]butan-2-ol;10-[3-[4-[2-(2-methoxyethoxy)ethyl]piperazin-1-yl]propyl]-2-(trifluoromethyl)phenothiazine;10-[3-[4-[2-methoxy-3-[2-methoxy-3-[2-methoxy-3-(2-methoxyethoxy)propoxy]propoxy]propyl]piperazin-1-yl]propyl]-2-(trifluoromethyl)phenothiazine?

The IUPAC name of 1-[3-[3-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]-2-hydroxypropoxy]-2-hydroxypropoxy]butan-2-ol;bis(1-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]-2-(2-methoxyethoxy)ethanone);1-[2-hydroxy-3-[2-hydroxy-3-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]propoxy]propoxy]butan-2-ol;10-[3-[4-[2-(2-methoxyethoxy)ethyl]piperazin-1-yl]propyl]-2-(trifluoromethyl)phenothiazine;10-[3-[4-[2-methoxy-3-[2-methoxy-3-[2-methoxy-3-(2-methoxyethoxy)propoxy]propoxy]propyl]piperazin-1-yl]propyl]-2-(trifluoromethyl)phenothiazine (CID 161313077) is 1-[3-[3-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]-2-hydroxypropoxy]-2-hydroxypropoxy]butan-2-ol;bis(1-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]-2-(2-methoxyethoxy)ethanone);1-[2-hydroxy-3-[2-hydroxy-3-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]propoxy]propoxy]butan-2-ol;10-[3-[4-[2-(2-methoxyethoxy)ethyl]piperazin-1-yl]propyl]-2-(trifluoromethyl)phenothiazine;10-[3-[4-[2-methoxy-3-[2-methoxy-3-[2-methoxy-3-(2-methoxyethoxy)propoxy]propoxy]propyl]piperazin-1-yl]propyl]-2-(trifluoromethyl)phenothiazine.

What is the SMILES notation for 1-[3-[3-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]-2-hydroxypropoxy]-2-hydroxypropoxy]butan-2-ol;bis(1-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]-2-(2-methoxyethoxy)ethanone);1-[2-hydroxy-3-[2-hydroxy-3-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]propoxy]propoxy]butan-2-ol;10-[3-[4-[2-(2-methoxyethoxy)ethyl]piperazin-1-yl]propyl]-2-(trifluoromethyl)phenothiazine;10-[3-[4-[2-methoxy-3-[2-methoxy-3-[2-methoxy-3-(2-methoxyethoxy)propoxy]propoxy]propyl]piperazin-1-yl]propyl]-2-(trifluoromethyl)phenothiazine?

The canonical SMILES for 1-[3-[3-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]-2-hydroxypropoxy]-2-hydroxypropoxy]butan-2-ol;bis(1-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]-2-(2-methoxyethoxy)ethanone);1-[2-hydroxy-3-[2-hydroxy-3-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]propoxy]propoxy]butan-2-ol;10-[3-[4-[2-(2-methoxyethoxy)ethyl]piperazin-1-yl]propyl]-2-(trifluoromethyl)phenothiazine;10-[3-[4-[2-methoxy-3-[2-methoxy-3-[2-methoxy-3-(2-methoxyethoxy)propoxy]propoxy]propyl]piperazin-1-yl]propyl]-2-(trifluoromethyl)phenothiazine is CCC(O)COCC(O)COCC(O)CN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1.CCC(O)COCC(O)COCC(O)CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1.COCCOCC(=O)N1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1.COCCOCC(=O)N1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1.COCCOCC(COCC(COCC(CN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1)OC)OC)OC.COCCOCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1.

What is the InChIKey of 1-[3-[3-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]-2-hydroxypropoxy]-2-hydroxypropoxy]butan-2-ol;bis(1-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]-2-(2-methoxyethoxy)ethanone);1-[2-hydroxy-3-[2-hydroxy-3-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]propoxy]propoxy]butan-2-ol;10-[3-[4-[2-(2-methoxyethoxy)ethyl]piperazin-1-yl]propyl]-2-(trifluoromethyl)phenothiazine;10-[3-[4-[2-methoxy-3-[2-methoxy-3-[2-methoxy-3-(2-methoxyethoxy)propoxy]propoxy]propyl]piperazin-1-yl]propyl]-2-(trifluoromethyl)phenothiazine?

The InChIKey is VJDKZEKVJIREPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H52F3N3O7S.C30H42F3N3O5S.C29H42ClN3O5S.C25H32F3N3O2S.2C24H30ClN3O3S/c1-42-18-19-46-23-29(44-3)24-48-26-30(45-4)25-47-22-28(43-2)21-40-16-14-39(15-17-40)12-7-13-41-31-8-5-6-9-33(31)49-34-11-10-27(20-32(34)41)35(36,37)38;1-2-23(37)18-40-20-25(39)21-41-19-24(38)17-35-14-12-34(13-15-35)10-5-11-36-26-6-3-4-7-28(26)42-29-9-8-22(16-27(29)36)30(31,32)33;1-2-23(34)18-37-20-25(36)21-38-19-24(35)17-32-14-12-31(13-15-32)10-5-11-33-26-6-3-4-7-28(26)39-29-9-8-22(30)16-27(29)33;1-32-17-18-33-16-15-30-13-11-29(12-14-30)9-4-10-31-21-5-2-3-6-23(21)34-24-8-7-20(19-22(24)31)25(26,27)28;2*1-30-15-16-31-18-24(29)27-13-11-26(12-14-27)9-4-10-28-20-5-2-3-6-22(20)32-23-8-7-19(25)17-21(23)28/h5-6,8-11,20,28-30H,7,12-19,21-26H2,1-4H3;3-4,6-9,16,23-25,37-39H,2,5,10-15,17-21H2,1H3;3-4,6-9,16,23-25,34-36H,2,5,10-15,17-21H2,1H3;2-3,5-8,19H,4,9-18H2,1H3;2*2-3,5-8,17H,4,9-16,18H2,1H3.

What are the key properties of 1-[3-[3-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]-2-hydroxypropoxy]-2-hydroxypropoxy]butan-2-ol;bis(1-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]-2-(2-methoxyethoxy)ethanone);1-[2-hydroxy-3-[2-hydroxy-3-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]propoxy]propoxy]butan-2-ol;10-[3-[4-[2-(2-methoxyethoxy)ethyl]piperazin-1-yl]propyl]-2-(trifluoromethyl)phenothiazine;10-[3-[4-[2-methoxy-3-[2-methoxy-3-[2-methoxy-3-(2-methoxyethoxy)propoxy]propoxy]propyl]piperazin-1-yl]propyl]-2-(trifluoromethyl)phenothiazine?

1-[3-[3-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]-2-hydroxypropoxy]-2-hydroxypropoxy]butan-2-ol;bis(1-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]-2-(2-methoxyethoxy)ethanone);1-[2-hydroxy-3-[2-hydroxy-3-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]propoxy]propoxy]butan-2-ol;10-[3-[4-[2-(2-methoxyethoxy)ethyl]piperazin-1-yl]propyl]-2-(trifluoromethyl)phenothiazine;10-[3-[4-[2-methoxy-3-[2-methoxy-3-[2-methoxy-3-(2-methoxyethoxy)propoxy]propoxy]propyl]piperazin-1-yl]propyl]-2-(trifluoromethyl)phenothiazine has a molecular weight of 3357.50 g/mol, XLogP of 25.63, 80 rotatable bonds, 6 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[3-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]-2-hydroxypropoxy]-2-hydroxypropoxy]butan-2-ol;bis(1-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]-2-(2-methoxyethoxy)ethanone);1-[2-hydroxy-3-[2-hydroxy-3-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]propoxy]propoxy]butan-2-ol;10-[3-[4-[2-(2-methoxyethoxy)ethyl]piperazin-1-yl]propyl]-2-(trifluoromethyl)phenothiazine;10-[3-[4-[2-methoxy-3-[2-methoxy-3-[2-methoxy-3-(2-methoxyethoxy)propoxy]propoxy]propyl]piperazin-1-yl]propyl]-2-(trifluoromethyl)phenothiazine is sourced from PubChem (CID 161313077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).