2-[2-[4-(2-methyl-3-phenothiazin-10-ylpropyl)piperazin-1-yl]ethoxy]ethanol

C24H33N3O2S — CID 17182

💊View drug profile → dixyrazine
IUPAC2-[2-[4-(2-methyl-3-phenothiazin-10-ylpropyl)piperazin-1-yl]ethoxy]ethanol
SMILESCC(CN1CCN(CCOCCO)CC1)CN1c2ccccc2Sc2ccccc21
InChIInChI=1S/C24H33N3O2S/c1-20(18-26-12-10-25(11-13-26)14-16-29-17-15-28)19-27-21-6-2-4-8-23(21)30-24-9-5-3-7-22(24)27/h2-9,20,28H,10-19H2,1H3
InChIKeyMSYUMPGNGDNTIQ-UHFFFAOYSA-N
MW427.61 g/mol
LogP3.55
Rot. Bonds9

About 2-[2-[4-(2-methyl-3-phenothiazin-10-ylpropyl)piperazin-1-yl]ethoxy]ethanol

2-[2-[4-(2-methyl-3-phenothiazin-10-ylpropyl)piperazin-1-yl]ethoxy]ethanol (PubChem CID 17182) has the molecular formula C24H33N3O2S and a molecular weight of 427.61 g/mol. Its IUPAC name is 2-[2-[4-(2-methyl-3-phenothiazin-10-ylpropyl)piperazin-1-yl]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[4-(2-methyl-3-phenothiazin-10-ylpropyl)piperazin-1-yl]ethoxy]ethanol
PubChem CID17182
Molecular FormulaC24H33N3O2S
Molecular Weight427.61 g/mol
Exact Mass427.23
IUPAC Name2-[2-[4-(2-methyl-3-phenothiazin-10-ylpropyl)piperazin-1-yl]ethoxy]ethanol
SMILESCC(CN1CCN(CCOCCO)CC1)CN1c2ccccc2Sc2ccccc21
InChIInChI=1S/C24H33N3O2S/c1-20(18-26-12-10-25(11-13-26)14-16-29-17-15-28)19-27-21-6-2-4-8-23(21)30-24-9-5-3-7-22(24)27/h2-9,20,28H,10-19H2,1H3
InChIKeyMSYUMPGNGDNTIQ-UHFFFAOYSA-N
XLogP3.55
TPSA39.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.61
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_666_A(13)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Dimethoxanate
CID 10610
2-(morpholin-4-yl)-1-(10H-phenothiazin-10-yl)ethanone
CID 713627
Dimethoxanate Hydrochloride
CID 10609
Hydroxyethylpromethazine
CID 16406
1-(diethylamino)-3-(10H-phenothiazin-10-yl)propan-2-ol
CID 2897584
2-(2-(4-(2-((2-Chloro-10-phenothiazinyl)methyl)propyl)-1-piperazinyl)ethoxy)ethanol
CID 99045
Dixyrazine dihydrochloride
CID 43296
Morazine
CID 165278
1-(4-methylpiperidin-1-yl)-3-(10H-phenothiazin-10-yl)propan-2-ol
CID 2896762
1-(dicyclohexylamino)-3-(10H-phenothiazin-10-yl)propan-2-ol
CID 3757815
1-[bis(2-hydroxyethyl)amino]-3-(10H-phenothiazin-10-yl)propan-2-ol
CID 24761478
Lsd1-IN-24
CID 458780

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(2-methyl-3-phenothiazin-10-ylpropyl)piperazin-1-yl]ethoxy]ethanol?
The IUPAC name of 2-[2-[4-(2-methyl-3-phenothiazin-10-ylpropyl)piperazin-1-yl]ethoxy]ethanol (CID 17182) is 2-[2-[4-(2-methyl-3-phenothiazin-10-ylpropyl)piperazin-1-yl]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[4-(2-methyl-3-phenothiazin-10-ylpropyl)piperazin-1-yl]ethoxy]ethanol?
The canonical SMILES for 2-[2-[4-(2-methyl-3-phenothiazin-10-ylpropyl)piperazin-1-yl]ethoxy]ethanol is CC(CN1CCN(CCOCCO)CC1)CN1c2ccccc2Sc2ccccc21.
What is the InChIKey of 2-[2-[4-(2-methyl-3-phenothiazin-10-ylpropyl)piperazin-1-yl]ethoxy]ethanol?
The InChIKey is MSYUMPGNGDNTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2S/c1-20(18-26-12-10-25(11-13-26)14-16-29-17-15-28)19-27-21-6-2-4-8-23(21)30-24-9-5-3-7-22(24)27/h2-9,20,28H,10-19H2,1H3.
What are the key properties of 2-[2-[4-(2-methyl-3-phenothiazin-10-ylpropyl)piperazin-1-yl]ethoxy]ethanol?
2-[2-[4-(2-methyl-3-phenothiazin-10-ylpropyl)piperazin-1-yl]ethoxy]ethanol has a molecular weight of 427.61 g/mol, XLogP of 3.55, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(2-methyl-3-phenothiazin-10-ylpropyl)piperazin-1-yl]ethoxy]ethanol is sourced from PubChem (CID 17182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).