1-methylpiperazine;10-propyl-2-(trifluoromethyl)phenothiazine

C21H26F3N3S — CID 143153499

IUPAC1-methylpiperazine;10-propyl-2-(trifluoromethyl)phenothiazine
SMILESCCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21.CN1CCNCC1
InChIInChI=1S/C16H14F3NS.C5H12N2/c1-2-9-20-12-5-3-4-6-14(12)21-15-8-7-11(10-13(15)20)16(17,18)19;1-7-4-2-6-3-5-7/h3-8,10H,2,9H2,1H3;6H,2-5H2,1H3
InChIKeyWXQHWCIQAFZWCA-UHFFFAOYSA-N
MW409.52 g/mol
LogP5.24
Rot. Bonds2

About 1-methylpiperazine;10-propyl-2-(trifluoromethyl)phenothiazine

1-methylpiperazine;10-propyl-2-(trifluoromethyl)phenothiazine (PubChem CID 143153499) has the molecular formula C21H26F3N3S and a molecular weight of 409.52 g/mol. Its IUPAC name is 1-methylpiperazine;10-propyl-2-(trifluoromethyl)phenothiazine.

Molecular Properties

Compound Name1-methylpiperazine;10-propyl-2-(trifluoromethyl)phenothiazine
PubChem CID143153499
Molecular FormulaC21H26F3N3S
Molecular Weight409.52 g/mol
Exact Mass409.18
IUPAC Name1-methylpiperazine;10-propyl-2-(trifluoromethyl)phenothiazine
SMILESCCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21.CN1CCNCC1
InChIInChI=1S/C16H14F3NS.C5H12N2/c1-2-9-20-12-5-3-4-6-14(12)21-15-8-7-11(10-13(15)20)16(17,18)19;1-7-4-2-6-3-5-7/h3-8,10H,2,9H2,1H3;6H,2-5H2,1H3
InChIKeyWXQHWCIQAFZWCA-UHFFFAOYSA-N
XLogP5.24
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.52
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

10-[2-(4-methylpiperazin-1-yl)ethyl]-2-(trifluoromethyl)phenothiazine
CID 6431810
10-[3-(4-propylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine
CID 58645990
10-[4-(4-methylpiperazin-1-yl)butyl]-2-(trifluoromethyl)phenothiazine
CID 139567030
10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine;hydrochloride
CID 2913535
bis((Z)-but-2-enedioic acid);10-(3-piperazin-1-ylpropyl)-2-(trifluoromethyl)phenothiazine
CID 10175468
10-(5-chloro-4-piperazin-1-ylpentyl)-2-(trifluoromethyl)phenothiazine
CID 154323058
10-(3-pyrrolidin-1-ylpropyl)-2-(trifluoromethyl)phenothiazine;hydrochloride
CID 21333443
(E)-but-2-enedioic acid;10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine
CID 6504828
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-[3-[4-(2-butoxyethyl)piperazin-1-yl]propyl]-2-(trifluoromethyl)phenothiazine;hydrochloride
CID 54600907
2-methyl-2-(10-propylphenothiazin-2-yl)propanenitrile
CID 67902682
1-[2-(trifluoromethyl)phenothiazin-10-yl]butan-2-ol
CID 139567013

Frequently Asked Questions

What is the IUPAC name of 1-methylpiperazine;10-propyl-2-(trifluoromethyl)phenothiazine?
The IUPAC name of 1-methylpiperazine;10-propyl-2-(trifluoromethyl)phenothiazine (CID 143153499) is 1-methylpiperazine;10-propyl-2-(trifluoromethyl)phenothiazine.
What is the SMILES notation for 1-methylpiperazine;10-propyl-2-(trifluoromethyl)phenothiazine?
The canonical SMILES for 1-methylpiperazine;10-propyl-2-(trifluoromethyl)phenothiazine is CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21.CN1CCNCC1.
What is the InChIKey of 1-methylpiperazine;10-propyl-2-(trifluoromethyl)phenothiazine?
The InChIKey is WXQHWCIQAFZWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NS.C5H12N2/c1-2-9-20-12-5-3-4-6-14(12)21-15-8-7-11(10-13(15)20)16(17,18)19;1-7-4-2-6-3-5-7/h3-8,10H,2,9H2,1H3;6H,2-5H2,1H3.
What are the key properties of 1-methylpiperazine;10-propyl-2-(trifluoromethyl)phenothiazine?
1-methylpiperazine;10-propyl-2-(trifluoromethyl)phenothiazine has a molecular weight of 409.52 g/mol, XLogP of 5.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpiperazine;10-propyl-2-(trifluoromethyl)phenothiazine is sourced from PubChem (CID 143153499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).