2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl acetate

C24H28F3N3O2S — CID 17966

IUPAC2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl acetate
SMILESCC(=O)OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1
InChIInChI=1S/C24H28F3N3O2S/c1-18(31)32-16-15-29-13-11-28(12-14-29)9-4-10-30-20-5-2-3-6-22(20)33-23-8-7-19(17-21(23)30)24(25,26)27/h2-3,5-8,17H,4,9-16H2,1H3
InChIKeyVZXRBTTXAUZWBO-UHFFFAOYSA-N
MW479.57 g/mol
LogP4.88
Rot. Bonds7

About 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl acetate

2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl acetate (PubChem CID 17966) has the molecular formula C24H28F3N3O2S and a molecular weight of 479.57 g/mol. Its IUPAC name is 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl acetate.

Molecular Properties

Compound Name2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl acetate
PubChem CID17966
Molecular FormulaC24H28F3N3O2S
Molecular Weight479.57 g/mol
Exact Mass479.19
IUPAC Name2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl acetate
SMILESCC(=O)OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1
InChIInChI=1S/C24H28F3N3O2S/c1-18(31)32-16-15-29-13-11-28(12-14-29)9-4-10-30-20-5-2-3-6-22(20)33-23-8-7-19(17-21(23)30)24(25,26)27/h2-3,5-8,17H,4,9-16H2,1H3
InChIKeyVZXRBTTXAUZWBO-UHFFFAOYSA-N
XLogP4.88
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.57
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Trifluoperazine
CID 5566
Fluphenazine
CID 3372
Triflupromazine
CID 5568
Fluphenazine Decanoate
CID 3388
Trifluoperazine Hydrochloride
CID 66064
Fluphenazine Hydrochloride
CID 67356
Fluphenazine Enanthate
CID 3389
Fluoracizine
CID 161562
Ftorpropazine
CID 219081
Ftormetazine
CID 969494
Hexahydro-4-(3-(2-(trifluoromethyl)-10H-phenothiazin-10-yl)propyl)-1H-1,4-diazepine-1-ethanol
CID 19687
Fluoperazine
CID 2913535

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl acetate?
The IUPAC name of 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl acetate (CID 17966) is 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl acetate.
What is the SMILES notation for 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl acetate?
The canonical SMILES for 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl acetate is CC(=O)OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1.
What is the InChIKey of 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl acetate?
The InChIKey is VZXRBTTXAUZWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N3O2S/c1-18(31)32-16-15-29-13-11-28(12-14-29)9-4-10-30-20-5-2-3-6-22(20)33-23-8-7-19(17-21(23)30)24(25,26)27/h2-3,5-8,17H,4,9-16H2,1H3.
What are the key properties of 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl acetate?
2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl acetate has a molecular weight of 479.57 g/mol, XLogP of 4.88, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl acetate is sourced from PubChem (CID 17966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).