10-[3-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)propyl]-2-(trifluoromethyl)phenothiazine

C25H30F3N3S — CID 24841513

IUPAC10-[3-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)propyl]-2-(trifluoromethyl)phenothiazine
SMILESCN1CCC2(CCN(CCCN3c4ccccc4Sc4ccc(C(F)(F)F)cc43)CC2)C1
InChIInChI=1S/C25H30F3N3S/c1-29-14-9-24(18-29)10-15-30(16-11-24)12-4-13-31-20-5-2-3-6-22(20)32-23-8-7-19(17-21(23)31)25(26,27)28/h2-3,5-8,17H,4,9-16,18H2,1H3
InChIKeyNVYJPQJALMPSHD-UHFFFAOYSA-N
MW461.60 g/mol
LogP6.12
Rot. Bonds4

About 10-[3-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)propyl]-2-(trifluoromethyl)phenothiazine

10-[3-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)propyl]-2-(trifluoromethyl)phenothiazine (PubChem CID 24841513) has the molecular formula C25H30F3N3S and a molecular weight of 461.60 g/mol. Its IUPAC name is 10-[3-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)propyl]-2-(trifluoromethyl)phenothiazine.

Molecular Properties

Compound Name10-[3-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)propyl]-2-(trifluoromethyl)phenothiazine
PubChem CID24841513
Molecular FormulaC25H30F3N3S
Molecular Weight461.60 g/mol
Exact Mass461.21
IUPAC Name10-[3-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)propyl]-2-(trifluoromethyl)phenothiazine
SMILESCN1CCC2(CCN(CCCN3c4ccccc4Sc4ccc(C(F)(F)F)cc43)CC2)C1
InChIInChI=1S/C25H30F3N3S/c1-29-14-9-24(18-29)10-15-30(16-11-24)12-4-13-31-20-5-2-3-6-22(20)32-23-8-7-19(17-21(23)31)25(26,27)28/h2-3,5-8,17H,4,9-16,18H2,1H3
InChIKeyNVYJPQJALMPSHD-UHFFFAOYSA-N
XLogP6.12
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.60
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 10-[3-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)propyl]-2-(trifluoromethyl)phenothiazine with MolForge

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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-propylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine
CID 58645990
10-[2-(4-methylpiperazin-1-yl)ethyl]-2-(trifluoromethyl)phenothiazine
CID 6431810
(E)-but-2-enedioic acid;10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine
CID 6504828
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
N'-[2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl]ethane-1,2-diamine
CID 25010340
10-[3-[4-(2-prop-2-enoxyethyl)piperazin-1-yl]propyl]-2-(trifluoromethyl)phenothiazine;hydrochloride
CID 54603272
10-[3-[4-(2-benzhydryloxyethyl)piperazin-1-yl]propyl]-2-(trifluoromethyl)phenothiazine
CID 154273971
2-[2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethoxy]acetic acid
CID 139567033

Frequently Asked Questions

What is the IUPAC name of 10-[3-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)propyl]-2-(trifluoromethyl)phenothiazine?
The IUPAC name of 10-[3-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)propyl]-2-(trifluoromethyl)phenothiazine (CID 24841513) is 10-[3-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)propyl]-2-(trifluoromethyl)phenothiazine.
What is the SMILES notation for 10-[3-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)propyl]-2-(trifluoromethyl)phenothiazine?
The canonical SMILES for 10-[3-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)propyl]-2-(trifluoromethyl)phenothiazine is CN1CCC2(CCN(CCCN3c4ccccc4Sc4ccc(C(F)(F)F)cc43)CC2)C1.
What is the InChIKey of 10-[3-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)propyl]-2-(trifluoromethyl)phenothiazine?
The InChIKey is NVYJPQJALMPSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F3N3S/c1-29-14-9-24(18-29)10-15-30(16-11-24)12-4-13-31-20-5-2-3-6-22(20)32-23-8-7-19(17-21(23)31)25(26,27)28/h2-3,5-8,17H,4,9-16,18H2,1H3.
What are the key properties of 10-[3-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)propyl]-2-(trifluoromethyl)phenothiazine?
10-[3-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)propyl]-2-(trifluoromethyl)phenothiazine has a molecular weight of 461.60 g/mol, XLogP of 6.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)propyl]-2-(trifluoromethyl)phenothiazine is sourced from PubChem (CID 24841513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).