1-(2-phenylsulfanylethyl)-4-(2,2,2-trifluoroethyl)piperazine

C14H19F3N2S — CID 112731207

IUPAC1-(2-phenylsulfanylethyl)-4-(2,2,2-trifluoroethyl)piperazine
SMILESFC(F)(F)CN1CCN(CCSc2ccccc2)CC1
InChIInChI=1S/C14H19F3N2S/c15-14(16,17)12-19-8-6-18(7-9-19)10-11-20-13-4-2-1-3-5-13/h1-5H,6-12H2
InChIKeyRLJQBMIWVAXGTF-UHFFFAOYSA-N
MW304.38 g/mol
LogP2.96
Rot. Bonds5

About 1-(2-phenylsulfanylethyl)-4-(2,2,2-trifluoroethyl)piperazine

1-(2-phenylsulfanylethyl)-4-(2,2,2-trifluoroethyl)piperazine (PubChem CID 112731207) has the molecular formula C14H19F3N2S and a molecular weight of 304.38 g/mol. Its IUPAC name is 1-(2-phenylsulfanylethyl)-4-(2,2,2-trifluoroethyl)piperazine.

Molecular Properties

Compound Name1-(2-phenylsulfanylethyl)-4-(2,2,2-trifluoroethyl)piperazine
PubChem CID112731207
Molecular FormulaC14H19F3N2S
Molecular Weight304.38 g/mol
Exact Mass304.12
IUPAC Name1-(2-phenylsulfanylethyl)-4-(2,2,2-trifluoroethyl)piperazine
SMILESFC(F)(F)CN1CCN(CCSc2ccccc2)CC1
InChIInChI=1S/C14H19F3N2S/c15-14(16,17)12-19-8-6-18(7-9-19)10-11-20-13-4-2-1-3-5-13/h1-5H,6-12H2
InChIKeyRLJQBMIWVAXGTF-UHFFFAOYSA-N
XLogP2.96
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-phenylsulfanylethyl)piperidine;hydrochloride
CID 21317512
1-(2-chloroethyl)-4-(2-phenylsulfanylethyl)-1,4-diazepane
CID 79223203
1-(2-methylpropyl)-4-(2-phenylsulfanylethyl)piperazine
CID 112731206
4,4-dimethyl-1-(2-phenylsulfanylethyl)piperidine
CID 18723211
1-(2-phenylsulfanylethyl)pyrrolidine-3,4-diol
CID 106672594
2-(2-phenylsulfanylethyl)-3,4-dihydro-1H-isoquinoline
CID 901226
1,2-dimethyl-4-(2-phenylsulfanylethyl)piperazine
CID 79315398
N-benzyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine
CID 62575078
4-methyl-1-(2-phenylsulfanylethyl)piperidine-4-carboxylic acid
CID 79228199
1-(6-phenylsulfanylhexyl)pyrrolidine
CID 11857934
1-(3-phenylsulfanylpropyl)piperidine;hydrochloride
CID 3038686
1-methyl-4-[2-(2-phenylsulfanylethoxy)ethyl]piperazine
CID 2992878

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylsulfanylethyl)-4-(2,2,2-trifluoroethyl)piperazine?
The IUPAC name of 1-(2-phenylsulfanylethyl)-4-(2,2,2-trifluoroethyl)piperazine (CID 112731207) is 1-(2-phenylsulfanylethyl)-4-(2,2,2-trifluoroethyl)piperazine.
What is the SMILES notation for 1-(2-phenylsulfanylethyl)-4-(2,2,2-trifluoroethyl)piperazine?
The canonical SMILES for 1-(2-phenylsulfanylethyl)-4-(2,2,2-trifluoroethyl)piperazine is FC(F)(F)CN1CCN(CCSc2ccccc2)CC1.
What is the InChIKey of 1-(2-phenylsulfanylethyl)-4-(2,2,2-trifluoroethyl)piperazine?
The InChIKey is RLJQBMIWVAXGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2S/c15-14(16,17)12-19-8-6-18(7-9-19)10-11-20-13-4-2-1-3-5-13/h1-5H,6-12H2.
What are the key properties of 1-(2-phenylsulfanylethyl)-4-(2,2,2-trifluoroethyl)piperazine?
1-(2-phenylsulfanylethyl)-4-(2,2,2-trifluoroethyl)piperazine has a molecular weight of 304.38 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylsulfanylethyl)-4-(2,2,2-trifluoroethyl)piperazine is sourced from PubChem (CID 112731207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).