1-[3-phenoxy-4-(trifluoromethylsulfanyl)phenyl]piperazine

C17H17F3N2OS — CID 54241271

IUPAC1-[3-phenoxy-4-(trifluoromethylsulfanyl)phenyl]piperazine
SMILESFC(F)(F)Sc1ccc(N2CCNCC2)cc1Oc1ccccc1
InChIInChI=1S/C17H17F3N2OS/c18-17(19,20)24-16-7-6-13(22-10-8-21-9-11-22)12-15(16)23-14-4-2-1-3-5-14/h1-7,12,21H,8-11H2
InChIKeyQQEGKPKANARDRR-UHFFFAOYSA-N
MW354.40 g/mol
LogP4.50
Rot. Bonds4

About 1-[3-phenoxy-4-(trifluoromethylsulfanyl)phenyl]piperazine

1-[3-phenoxy-4-(trifluoromethylsulfanyl)phenyl]piperazine (PubChem CID 54241271) has the molecular formula C17H17F3N2OS and a molecular weight of 354.40 g/mol. Its IUPAC name is 1-[3-phenoxy-4-(trifluoromethylsulfanyl)phenyl]piperazine.

Molecular Properties

Compound Name1-[3-phenoxy-4-(trifluoromethylsulfanyl)phenyl]piperazine
PubChem CID54241271
Molecular FormulaC17H17F3N2OS
Molecular Weight354.40 g/mol
Exact Mass354.10
IUPAC Name1-[3-phenoxy-4-(trifluoromethylsulfanyl)phenyl]piperazine
SMILESFC(F)(F)Sc1ccc(N2CCNCC2)cc1Oc1ccccc1
InChIInChI=1S/C17H17F3N2OS/c18-17(19,20)24-16-7-6-13(22-10-8-21-9-11-22)12-15(16)23-14-4-2-1-3-5-14/h1-7,12,21H,8-11H2
InChIKeyQQEGKPKANARDRR-UHFFFAOYSA-N
XLogP4.50
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-phenoxyphenyl)piperazine
CID 3017356
1-[3-(trifluoromethylsulfanyl)phenyl]piperazine
CID 3016557
1-[2-(trifluoromethylsulfanyl)phenyl]piperazine
CID 83325862
1-(2-phenoxyphenyl)piperazine
CID 12996705
1-[3-(trifluoromethoxy)phenyl]piperazine;hydrochloride
CID 121226455
1-[4-chloro-3-(trifluoromethoxy)phenyl]piperazine;dihydrochloride
CID 86618922
2-(4-piperazin-1-ylphenoxy)benzonitrile
CID 115410818
2-methoxy-4-piperazin-1-ylbenzoic acid
CID 84699390
(1R)-2,2,2-trifluoro-1-(3-piperazin-1-ylphenyl)ethanamine
CID 66510325
1-(3,4-dimethoxyphenyl)piperazine;dihydrochloride
CID 22625407
1-[4-(trifluoromethoxy)phenyl]piperazine;hydrochloride
CID 86767631
bis(1-(3-methoxyphenyl)piperazine);dihydrochloride
CID 70182951

Frequently Asked Questions

What is the IUPAC name of 1-[3-phenoxy-4-(trifluoromethylsulfanyl)phenyl]piperazine?
The IUPAC name of 1-[3-phenoxy-4-(trifluoromethylsulfanyl)phenyl]piperazine (CID 54241271) is 1-[3-phenoxy-4-(trifluoromethylsulfanyl)phenyl]piperazine.
What is the SMILES notation for 1-[3-phenoxy-4-(trifluoromethylsulfanyl)phenyl]piperazine?
The canonical SMILES for 1-[3-phenoxy-4-(trifluoromethylsulfanyl)phenyl]piperazine is FC(F)(F)Sc1ccc(N2CCNCC2)cc1Oc1ccccc1.
What is the InChIKey of 1-[3-phenoxy-4-(trifluoromethylsulfanyl)phenyl]piperazine?
The InChIKey is QQEGKPKANARDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2OS/c18-17(19,20)24-16-7-6-13(22-10-8-21-9-11-22)12-15(16)23-14-4-2-1-3-5-14/h1-7,12,21H,8-11H2.
What are the key properties of 1-[3-phenoxy-4-(trifluoromethylsulfanyl)phenyl]piperazine?
1-[3-phenoxy-4-(trifluoromethylsulfanyl)phenyl]piperazine has a molecular weight of 354.40 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-phenoxy-4-(trifluoromethylsulfanyl)phenyl]piperazine is sourced from PubChem (CID 54241271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).