10-[3-(4-cyclopropylpiperazin-1-yl)-2-methylpropyl]-2-(trifluoromethyl)phenothiazine

C24H28F3N3S — CID 154302343

IUPAC10-[3-(4-cyclopropylpiperazin-1-yl)-2-methylpropyl]-2-(trifluoromethyl)phenothiazine
SMILESCC(CN1CCN(C2CC2)CC1)CN1c2ccccc2Sc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C24H28F3N3S/c1-17(15-28-10-12-29(13-11-28)19-7-8-19)16-30-20-4-2-3-5-22(20)31-23-9-6-18(14-21(23)30)24(25,26)27/h2-6,9,14,17,19H,7-8,10-13,15-16H2,1H3
InChIKeyUNQIIPCNVOPZRB-UHFFFAOYSA-N
MW447.57 g/mol
LogP5.72
Rot. Bonds5

About 10-[3-(4-cyclopropylpiperazin-1-yl)-2-methylpropyl]-2-(trifluoromethyl)phenothiazine

10-[3-(4-cyclopropylpiperazin-1-yl)-2-methylpropyl]-2-(trifluoromethyl)phenothiazine (PubChem CID 154302343) has the molecular formula C24H28F3N3S and a molecular weight of 447.57 g/mol. Its IUPAC name is 10-[3-(4-cyclopropylpiperazin-1-yl)-2-methylpropyl]-2-(trifluoromethyl)phenothiazine.

Molecular Properties

Compound Name10-[3-(4-cyclopropylpiperazin-1-yl)-2-methylpropyl]-2-(trifluoromethyl)phenothiazine
PubChem CID154302343
Molecular FormulaC24H28F3N3S
Molecular Weight447.57 g/mol
Exact Mass447.20
IUPAC Name10-[3-(4-cyclopropylpiperazin-1-yl)-2-methylpropyl]-2-(trifluoromethyl)phenothiazine
SMILESCC(CN1CCN(C2CC2)CC1)CN1c2ccccc2Sc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C24H28F3N3S/c1-17(15-28-10-12-29(13-11-28)19-7-8-19)16-30-20-4-2-3-5-22(20)31-23-9-6-18(14-21(23)30)24(25,26)27/h2-6,9,14,17,19H,7-8,10-13,15-16H2,1H3
InChIKeyUNQIIPCNVOPZRB-UHFFFAOYSA-N
XLogP5.72
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.57
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

10-[2-(4-methylpiperazin-1-yl)ethyl]-2-(trifluoromethyl)phenothiazine
CID 6431810
1-[2-(trifluoromethyl)phenothiazin-10-yl]butan-2-ol
CID 139567013
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
10-[3-(4-propylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine
CID 58645990
tert-butyl 4-[2-hydroxy-3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazine-1-carboxylate;ethane;ethene
CID 153351332
10-[2-hydroxy-3-[4-[(sulfinoamino)methyl]piperidin-1-yl]propyl]-2-(trifluoromethyl)phenothiazine
CID 170107034
10-(3-pyrrolidin-1-ylpropyl)-2-(trifluoromethyl)phenothiazine;hydrochloride
CID 21333443
3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-one
CID 3625600
10-[3-[4-(2-butoxyethyl)piperazin-1-yl]propyl]-2-(trifluoromethyl)phenothiazine;hydrochloride
CID 54600907
10-[4-(4-phenylpiperazin-1-yl)butyl]-2-(trifluoromethyl)phenothiazine
CID 135251829
1-methylpiperazine;10-propyl-2-(trifluoromethyl)phenothiazine
CID 143153499

Frequently Asked Questions

What is the IUPAC name of 10-[3-(4-cyclopropylpiperazin-1-yl)-2-methylpropyl]-2-(trifluoromethyl)phenothiazine?
The IUPAC name of 10-[3-(4-cyclopropylpiperazin-1-yl)-2-methylpropyl]-2-(trifluoromethyl)phenothiazine (CID 154302343) is 10-[3-(4-cyclopropylpiperazin-1-yl)-2-methylpropyl]-2-(trifluoromethyl)phenothiazine.
What is the SMILES notation for 10-[3-(4-cyclopropylpiperazin-1-yl)-2-methylpropyl]-2-(trifluoromethyl)phenothiazine?
The canonical SMILES for 10-[3-(4-cyclopropylpiperazin-1-yl)-2-methylpropyl]-2-(trifluoromethyl)phenothiazine is CC(CN1CCN(C2CC2)CC1)CN1c2ccccc2Sc2ccc(C(F)(F)F)cc21.
What is the InChIKey of 10-[3-(4-cyclopropylpiperazin-1-yl)-2-methylpropyl]-2-(trifluoromethyl)phenothiazine?
The InChIKey is UNQIIPCNVOPZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N3S/c1-17(15-28-10-12-29(13-11-28)19-7-8-19)16-30-20-4-2-3-5-22(20)31-23-9-6-18(14-21(23)30)24(25,26)27/h2-6,9,14,17,19H,7-8,10-13,15-16H2,1H3.
What are the key properties of 10-[3-(4-cyclopropylpiperazin-1-yl)-2-methylpropyl]-2-(trifluoromethyl)phenothiazine?
10-[3-(4-cyclopropylpiperazin-1-yl)-2-methylpropyl]-2-(trifluoromethyl)phenothiazine has a molecular weight of 447.57 g/mol, XLogP of 5.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-(4-cyclopropylpiperazin-1-yl)-2-methylpropyl]-2-(trifluoromethyl)phenothiazine is sourced from PubChem (CID 154302343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).