3-[3-piperazin-1-yl-7-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine

C20H23F3N4S — CID 139346707

IUPAC3-[3-piperazin-1-yl-7-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine
SMILESNCCCN1c2ccc(N3CCNCC3)cc2Sc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C20H23F3N4S/c21-20(22,23)14-2-4-16-18(12-14)28-19-13-15(26-10-7-25-8-11-26)3-5-17(19)27(16)9-1-6-24/h2-5,12-13,25H,1,6-11,24H2
InChIKeyYWJWGMJLHPMCGA-UHFFFAOYSA-N
MW408.49 g/mol
LogP4.07
Rot. Bonds4

About 3-[3-piperazin-1-yl-7-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine

3-[3-piperazin-1-yl-7-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine (PubChem CID 139346707) has the molecular formula C20H23F3N4S and a molecular weight of 408.49 g/mol. Its IUPAC name is 3-[3-piperazin-1-yl-7-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine.

Molecular Properties

Compound Name3-[3-piperazin-1-yl-7-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine
PubChem CID139346707
Molecular FormulaC20H23F3N4S
Molecular Weight408.49 g/mol
Exact Mass408.16
IUPAC Name3-[3-piperazin-1-yl-7-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine
SMILESNCCCN1c2ccc(N3CCNCC3)cc2Sc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C20H23F3N4S/c21-20(22,23)14-2-4-16-18(12-14)28-19-13-15(26-10-7-25-8-11-26)3-5-17(19)27(16)9-1-6-24/h2-5,12-13,25H,1,6-11,24H2
InChIKeyYWJWGMJLHPMCGA-UHFFFAOYSA-N
XLogP4.07
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.49
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-[4-(2-aminoethyl)piperazin-1-yl]-7-bromophenothiazin-10-yl]propan-1-amine
CID 139346507
bis((Z)-but-2-enedioic acid);10-(3-piperazin-1-ylpropyl)-2-(trifluoromethyl)phenothiazine
CID 10175468
1-methylpiperazine;10-propyl-2-(trifluoromethyl)phenothiazine
CID 143153499
10-(5-chloro-4-piperazin-1-ylpentyl)-2-(trifluoromethyl)phenothiazine
CID 154323058
N'-[2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl]ethane-1,2-diamine
CID 25010340
1-[2,4-bis(trifluoromethyl)phenyl]piperazine
CID 86600709
10-[4-(4-phenylpiperazin-1-yl)butyl]-2-(trifluoromethyl)phenothiazine
CID 135251829
10-(3-pyrrolidin-1-ylpropyl)-2-(trifluoromethyl)phenothiazine;hydrochloride
CID 21333443
1-[2-chloro-5-(trifluoromethyl)phenyl]piperazine
CID 3830901
formaldehyde;1-[3-(trifluoromethyl)phenyl]piperazine
CID 159253416
(E)-but-2-enedioic acid;4-[2-(trifluoromethyl)phenothiazin-10-yl]butan-1-amine
CID 10343938
1-[2-methoxy-4-(trifluoromethyl)phenyl]piperazine;hydrochloride
CID 121225637

Frequently Asked Questions

What is the IUPAC name of 3-[3-piperazin-1-yl-7-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine?
The IUPAC name of 3-[3-piperazin-1-yl-7-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine (CID 139346707) is 3-[3-piperazin-1-yl-7-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine.
What is the SMILES notation for 3-[3-piperazin-1-yl-7-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine?
The canonical SMILES for 3-[3-piperazin-1-yl-7-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine is NCCCN1c2ccc(N3CCNCC3)cc2Sc2cc(C(F)(F)F)ccc21.
What is the InChIKey of 3-[3-piperazin-1-yl-7-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine?
The InChIKey is YWJWGMJLHPMCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N4S/c21-20(22,23)14-2-4-16-18(12-14)28-19-13-15(26-10-7-25-8-11-26)3-5-17(19)27(16)9-1-6-24/h2-5,12-13,25H,1,6-11,24H2.
What are the key properties of 3-[3-piperazin-1-yl-7-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine?
3-[3-piperazin-1-yl-7-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine has a molecular weight of 408.49 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-piperazin-1-yl-7-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine is sourced from PubChem (CID 139346707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).