2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone;dihydrochloride

C24H30Cl2F3N3OS — CID 126477532

IUPAC2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone;dihydrochloride
SMILESCC1(C)CC(NCC(=O)N2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC(C)(C)N1.Cl.Cl
InChIInChI=1S/C24H28F3N3OS.2ClH/c1-22(2)12-16(13-23(3,4)29-22)28-14-21(31)30-17-7-5-6-8-19(17)32-20-10-9-15(11-18(20)30)24(25,26)27;;/h5-11,16,28-29H,12-14H2,1-4H3;2*1H
InChIKeyZHYPAOAGTRHAKN-UHFFFAOYSA-N
MW536.49 g/mol
LogP6.58
Rot. Bonds3

About 2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone;dihydrochloride

2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone;dihydrochloride (PubChem CID 126477532) has the molecular formula C24H30Cl2F3N3OS and a molecular weight of 536.49 g/mol. Its IUPAC name is 2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone;dihydrochloride.

Molecular Properties

Compound Name2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone;dihydrochloride
PubChem CID126477532
Molecular FormulaC24H30Cl2F3N3OS
Molecular Weight536.49 g/mol
Exact Mass535.14
IUPAC Name2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone;dihydrochloride
SMILESCC1(C)CC(NCC(=O)N2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC(C)(C)N1.Cl.Cl
InChIInChI=1S/C24H28F3N3OS.2ClH/c1-22(2)12-16(13-23(3,4)29-22)28-14-21(31)30-17-7-5-6-8-19(17)32-20-10-9-15(11-18(20)30)24(25,26)27;;/h5-11,16,28-29H,12-14H2,1-4H3;2*1H
InChIKeyZHYPAOAGTRHAKN-UHFFFAOYSA-N
XLogP6.58
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.49
LogP ≤ 56.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone;dihydrochloride with MolForge

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Related Compounds

1-[2-(trifluoromethyl)phenothiazin-10-yl]butan-1-one
CID 154359839
3-amino-1-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-one;hydrochloride
CID 146050838
3-(4-methylpiperazin-1-yl)-1-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-one;dihydrochloride
CID 2834211
[2-oxo-2-[2-(trifluoromethyl)phenothiazin-10-yl]ethyl] nitrate
CID 90480433
2-(4-hydroxypiperidin-1-yl)-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone
CID 1114039
diethyl-[3-oxo-3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]azanium chloride
CID 43834220
2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone
CID 3135459
2-morpholin-4-ium-4-yl-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone chloride
CID 43834407
2-(3-hydroxypiperidin-1-ium-1-yl)-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone
CID 5181005
3-phenyl-1-[2-(trifluoromethyl)phenothiazin-10-yl]prop-2-en-1-one
CID 2857001
2-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methylsulfanyl]-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone
CID 10255103
2-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]-1-phenothiazin-10-ylethanone
CID 27026630

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone;dihydrochloride?
The IUPAC name of 2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone;dihydrochloride (CID 126477532) is 2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone;dihydrochloride.
What is the SMILES notation for 2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone;dihydrochloride?
The canonical SMILES for 2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone;dihydrochloride is CC1(C)CC(NCC(=O)N2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC(C)(C)N1.Cl.Cl.
What is the InChIKey of 2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone;dihydrochloride?
The InChIKey is ZHYPAOAGTRHAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N3OS.2ClH/c1-22(2)12-16(13-23(3,4)29-22)28-14-21(31)30-17-7-5-6-8-19(17)32-20-10-9-15(11-18(20)30)24(25,26)27;;/h5-11,16,28-29H,12-14H2,1-4H3;2*1H.
What are the key properties of 2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone;dihydrochloride?
2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone;dihydrochloride has a molecular weight of 536.49 g/mol, XLogP of 6.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone;dihydrochloride is sourced from PubChem (CID 126477532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).