10-[4-(4-phenylpiperazin-1-yl)butyl]-2-(trifluoromethyl)phenothiazine

C27H28F3N3S — CID 135251829

IUPAC10-[4-(4-phenylpiperazin-1-yl)butyl]-2-(trifluoromethyl)phenothiazine
SMILESFC(F)(F)c1ccc2c(c1)N(CCCCN1CCN(c3ccccc3)CC1)c1ccccc1S2
InChIInChI=1S/C27H28F3N3S/c28-27(29,30)21-12-13-26-24(20-21)33(23-10-4-5-11-25(23)34-26)15-7-6-14-31-16-18-32(19-17-31)22-8-2-1-3-9-22/h1-5,8-13,20H,6-7,14-19H2
InChIKeyOOCXHTNXNVUDOJ-UHFFFAOYSA-N
MW483.60 g/mol
LogP6.91
Rot. Bonds6

About 10-[4-(4-phenylpiperazin-1-yl)butyl]-2-(trifluoromethyl)phenothiazine

10-[4-(4-phenylpiperazin-1-yl)butyl]-2-(trifluoromethyl)phenothiazine (PubChem CID 135251829) has the molecular formula C27H28F3N3S and a molecular weight of 483.60 g/mol. Its IUPAC name is 10-[4-(4-phenylpiperazin-1-yl)butyl]-2-(trifluoromethyl)phenothiazine.

Molecular Properties

Compound Name10-[4-(4-phenylpiperazin-1-yl)butyl]-2-(trifluoromethyl)phenothiazine
PubChem CID135251829
Molecular FormulaC27H28F3N3S
Molecular Weight483.60 g/mol
Exact Mass483.20
IUPAC Name10-[4-(4-phenylpiperazin-1-yl)butyl]-2-(trifluoromethyl)phenothiazine
SMILESFC(F)(F)c1ccc2c(c1)N(CCCCN1CCN(c3ccccc3)CC1)c1ccccc1S2
InChIInChI=1S/C27H28F3N3S/c28-27(29,30)21-12-13-26-24(20-21)33(23-10-4-5-11-25(23)34-26)15-7-6-14-31-16-18-32(19-17-31)22-8-2-1-3-9-22/h1-5,8-13,20H,6-7,14-19H2
InChIKeyOOCXHTNXNVUDOJ-UHFFFAOYSA-N
XLogP6.91
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.60
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine;hydrochloride
CID 2913535
10-[3-(4-propylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine
CID 58645990
2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl 4-[4-(trifluoromethyl)phenyl]piperazine-1-carboxylate
CID 6737214
2-chloro-10-[3-(4-phenylpiperazin-1-yl)propyl]phenothiazine
CID 135251831
2-[2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethoxy]acetic acid
CID 139567033
(E)-but-2-enedioic acid;10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine
CID 6504828
10-[2-(4-methylpiperazin-1-yl)ethyl]-2-(trifluoromethyl)phenothiazine
CID 6431810
10-[3-[4-(2-benzhydryloxyethyl)piperazin-1-yl]propyl]-2-(trifluoromethyl)phenothiazine
CID 154273971
N'-[2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl]ethane-1,2-diamine
CID 25010340
bis((Z)-but-2-enedioic acid);10-(3-piperazin-1-ylpropyl)-2-(trifluoromethyl)phenothiazine
CID 10175468

Frequently Asked Questions

What is the IUPAC name of 10-[4-(4-phenylpiperazin-1-yl)butyl]-2-(trifluoromethyl)phenothiazine?
The IUPAC name of 10-[4-(4-phenylpiperazin-1-yl)butyl]-2-(trifluoromethyl)phenothiazine (CID 135251829) is 10-[4-(4-phenylpiperazin-1-yl)butyl]-2-(trifluoromethyl)phenothiazine.
What is the SMILES notation for 10-[4-(4-phenylpiperazin-1-yl)butyl]-2-(trifluoromethyl)phenothiazine?
The canonical SMILES for 10-[4-(4-phenylpiperazin-1-yl)butyl]-2-(trifluoromethyl)phenothiazine is FC(F)(F)c1ccc2c(c1)N(CCCCN1CCN(c3ccccc3)CC1)c1ccccc1S2.
What is the InChIKey of 10-[4-(4-phenylpiperazin-1-yl)butyl]-2-(trifluoromethyl)phenothiazine?
The InChIKey is OOCXHTNXNVUDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F3N3S/c28-27(29,30)21-12-13-26-24(20-21)33(23-10-4-5-11-25(23)34-26)15-7-6-14-31-16-18-32(19-17-31)22-8-2-1-3-9-22/h1-5,8-13,20H,6-7,14-19H2.
What are the key properties of 10-[4-(4-phenylpiperazin-1-yl)butyl]-2-(trifluoromethyl)phenothiazine?
10-[4-(4-phenylpiperazin-1-yl)butyl]-2-(trifluoromethyl)phenothiazine has a molecular weight of 483.60 g/mol, XLogP of 6.91, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(4-phenylpiperazin-1-yl)butyl]-2-(trifluoromethyl)phenothiazine is sourced from PubChem (CID 135251829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).