5-cyclohexyl-2,2-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine

C15H27F3N2S — CID 116627571

IUPAC5-cyclohexyl-2,2-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine
SMILESCC1(C)CNC(C2CCCCC2)CN1CCSC(F)(F)F
InChIInChI=1S/C15H27F3N2S/c1-14(2)11-19-13(12-6-4-3-5-7-12)10-20(14)8-9-21-15(16,17)18/h12-13,19H,3-11H2,1-2H3
InChIKeyPHSPMTKJQYIMBE-UHFFFAOYSA-N
MW324.46 g/mol
LogP3.87
Rot. Bonds4

About 5-cyclohexyl-2,2-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine

5-cyclohexyl-2,2-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine (PubChem CID 116627571) has the molecular formula C15H27F3N2S and a molecular weight of 324.46 g/mol. Its IUPAC name is 5-cyclohexyl-2,2-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine.

Molecular Properties

Compound Name5-cyclohexyl-2,2-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine
PubChem CID116627571
Molecular FormulaC15H27F3N2S
Molecular Weight324.46 g/mol
Exact Mass324.18
IUPAC Name5-cyclohexyl-2,2-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine
SMILESCC1(C)CNC(C2CCCCC2)CN1CCSC(F)(F)F
InChIInChI=1S/C15H27F3N2S/c1-14(2)11-19-13(12-6-4-3-5-7-12)10-20(14)8-9-21-15(16,17)18/h12-13,19H,3-11H2,1-2H3
InChIKeyPHSPMTKJQYIMBE-UHFFFAOYSA-N
XLogP3.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.46
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-butyl-5-cyclohexyl-2,2-dimethylpiperazine
CID 64861711
5-cyclohexyl-1-hexyl-2,2-dimethylpiperazine
CID 64861163
5-cyclohexyl-2,2-dimethyl-1-(2-propan-2-yloxyethyl)piperazine
CID 64861713
5-cyclopropyl-1,2,2-trimethylpiperazine
CID 64860529
5-cyclohexyl-2,2-dimethyl-1-(thiophen-2-ylmethyl)piperazine
CID 64861167
5-cyclopropyl-2,2-dimethyl-1-(2-propan-2-ylsulfonylethyl)piperazine
CID 106733291
1-butyl-5-cyclohexyl-2,2-diethylpiperazine
CID 64861362
8-cyclohexyl-6-(3-methylbutyl)-6,9-diazaspiro[4.5]decane
CID 64861723
5-cyclopropyl-1-(3-imidazol-1-ylpropyl)-2,2-dimethylpiperazine
CID 64862252
5-cyclohexyl-2-ethyl-2-methyl-1-(2-methylbutyl)piperazine
CID 64861356
5-cyclohexyl-1-ethyl-2-methyl-2-phenylpiperazine
CID 64861916
3-ethyl-3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]-1,4-diazaspiro[5.5]undecane
CID 116627505

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-2,2-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine?
The IUPAC name of 5-cyclohexyl-2,2-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine (CID 116627571) is 5-cyclohexyl-2,2-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine.
What is the SMILES notation for 5-cyclohexyl-2,2-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine?
The canonical SMILES for 5-cyclohexyl-2,2-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine is CC1(C)CNC(C2CCCCC2)CN1CCSC(F)(F)F.
What is the InChIKey of 5-cyclohexyl-2,2-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine?
The InChIKey is PHSPMTKJQYIMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2S/c1-14(2)11-19-13(12-6-4-3-5-7-12)10-20(14)8-9-21-15(16,17)18/h12-13,19H,3-11H2,1-2H3.
What are the key properties of 5-cyclohexyl-2,2-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine?
5-cyclohexyl-2,2-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine has a molecular weight of 324.46 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-2,2-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine is sourced from PubChem (CID 116627571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).