10-[3-(4-propylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine

C23H28F3N3S — CID 58645990

IUPAC10-[3-(4-propylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine
SMILESCCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1
InChIInChI=1S/C23H28F3N3S/c1-2-10-27-13-15-28(16-14-27)11-5-12-29-19-6-3-4-7-21(19)30-22-9-8-18(17-20(22)29)23(24,25)26/h3-4,6-9,17H,2,5,10-16H2,1H3
InChIKeyIHPLDUUYIYAAOR-UHFFFAOYSA-N
MW435.56 g/mol
LogP5.73
Rot. Bonds6

About 10-[3-(4-propylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine

10-[3-(4-propylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine (PubChem CID 58645990) has the molecular formula C23H28F3N3S and a molecular weight of 435.56 g/mol. Its IUPAC name is 10-[3-(4-propylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine.

Molecular Properties

Compound Name10-[3-(4-propylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine
PubChem CID58645990
Molecular FormulaC23H28F3N3S
Molecular Weight435.56 g/mol
Exact Mass435.20
IUPAC Name10-[3-(4-propylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine
SMILESCCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1
InChIInChI=1S/C23H28F3N3S/c1-2-10-27-13-15-28(16-14-27)11-5-12-29-19-6-3-4-7-21(19)30-22-9-8-18(17-20(22)29)23(24,25)26/h3-4,6-9,17H,2,5,10-16H2,1H3
InChIKeyIHPLDUUYIYAAOR-UHFFFAOYSA-N
XLogP5.73
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.56
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine;hydrochloride
CID 2913535
10-[4-(4-methylpiperazin-1-yl)butyl]-2-(trifluoromethyl)phenothiazine
CID 139567030
10-(3-pyrrolidin-1-ylpropyl)-2-(trifluoromethyl)phenothiazine;hydrochloride
CID 21333443
10-[3-[4-(2-butoxyethyl)piperazin-1-yl]propyl]-2-(trifluoromethyl)phenothiazine;hydrochloride
CID 54600907
2-chloro-10-[3-(4-propylpiperazin-1-yl)propyl]phenothiazine;methane;10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine;2-methyl-10-[3-(4-propylpiperazin-1-yl)propyl]phenothiazine
CID 165091740
10-[2-(4-methylpiperazin-1-yl)ethyl]-2-(trifluoromethyl)phenothiazine
CID 6431810
10-[4-(4-phenylpiperazin-1-yl)butyl]-2-(trifluoromethyl)phenothiazine
CID 135251829
N'-[2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl]ethane-1,2-diamine
CID 25010340
(E)-but-2-enedioic acid;10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine
CID 6504828
10-[3-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)propyl]-2-(trifluoromethyl)phenothiazine
CID 24841513
10-[3-(4-butylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine;N-(2-oxobutyl)acetamide
CID 143928781
10-[3-[4-(2-prop-2-enoxyethyl)piperazin-1-yl]propyl]-2-(trifluoromethyl)phenothiazine;hydrochloride
CID 54603272

Frequently Asked Questions

What is the IUPAC name of 10-[3-(4-propylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine?
The IUPAC name of 10-[3-(4-propylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine (CID 58645990) is 10-[3-(4-propylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine.
What is the SMILES notation for 10-[3-(4-propylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine?
The canonical SMILES for 10-[3-(4-propylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine is CCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1.
What is the InChIKey of 10-[3-(4-propylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine?
The InChIKey is IHPLDUUYIYAAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F3N3S/c1-2-10-27-13-15-28(16-14-27)11-5-12-29-19-6-3-4-7-21(19)30-22-9-8-18(17-20(22)29)23(24,25)26/h3-4,6-9,17H,2,5,10-16H2,1H3.
What are the key properties of 10-[3-(4-propylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine?
10-[3-(4-propylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine has a molecular weight of 435.56 g/mol, XLogP of 5.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-(4-propylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine is sourced from PubChem (CID 58645990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).