1-[[2-chloro-5-(trifluoromethyl)phenyl]-thiophen-3-ylmethyl]piperazine

C16H16ClF3N2S — CID 4013561

IUPAC1-[[2-chloro-5-(trifluoromethyl)phenyl]-thiophen-3-ylmethyl]piperazine
SMILESFC(F)(F)c1ccc(Cl)c(C(c2ccsc2)N2CCNCC2)c1
InChIInChI=1S/C16H16ClF3N2S/c17-14-2-1-12(16(18,19)20)9-13(14)15(11-3-8-23-10-11)22-6-4-21-5-7-22/h1-3,8-10,15,21H,4-7H2
InChIKeyMNUYCFZCUQAJAD-UHFFFAOYSA-N
MW360.83 g/mol
LogP4.41
Rot. Bonds3

About 1-[[2-chloro-5-(trifluoromethyl)phenyl]-thiophen-3-ylmethyl]piperazine

1-[[2-chloro-5-(trifluoromethyl)phenyl]-thiophen-3-ylmethyl]piperazine (PubChem CID 4013561) has the molecular formula C16H16ClF3N2S and a molecular weight of 360.83 g/mol. Its IUPAC name is 1-[[2-chloro-5-(trifluoromethyl)phenyl]-thiophen-3-ylmethyl]piperazine.

Molecular Properties

Compound Name1-[[2-chloro-5-(trifluoromethyl)phenyl]-thiophen-3-ylmethyl]piperazine
PubChem CID4013561
Molecular FormulaC16H16ClF3N2S
Molecular Weight360.83 g/mol
Exact Mass360.07
IUPAC Name1-[[2-chloro-5-(trifluoromethyl)phenyl]-thiophen-3-ylmethyl]piperazine
SMILESFC(F)(F)c1ccc(Cl)c(C(c2ccsc2)N2CCNCC2)c1
InChIInChI=1S/C16H16ClF3N2S/c17-14-2-1-12(16(18,19)20)9-13(14)15(11-3-8-23-10-11)22-6-4-21-5-7-22/h1-3,8-10,15,21H,4-7H2
InChIKeyMNUYCFZCUQAJAD-UHFFFAOYSA-N
XLogP4.41
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.83
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(S)-[3-chloro-5-(trifluoromethyl)phenyl]-thiophen-3-ylmethyl]piperazine
CID 171177949
1-[(S)-[2-chloro-5-(trifluoromethyl)phenyl]-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171292780
1-[(R)-thiophen-3-yl-[3-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 171179883
1-[[2-chloro-5-(trifluoromethyl)phenyl]-(4-methylphenyl)methyl]-1,4-diazepane
CID 3575085
1-[[2-chloro-5-(trifluoromethyl)phenyl]-(5-methylthiophen-2-yl)methyl]piperazine
CID 3973688
1-[[2-chloro-5-(trifluoromethyl)phenyl]-(4-phenylphenyl)methyl]-1,4-diazepane
CID 3769891
1-[[2-chloro-5-(trifluoromethyl)phenyl]-(2,4-dichlorophenyl)methyl]-1,4-diazepane
CID 3765362
1-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]ethyl]piperazine;dihydrochloride
CID 171292767
1-[[2-chloro-5-(trifluoromethyl)phenyl]-(3,4-dimethoxyphenyl)methyl]-1,4-diazepane
CID 3725214
1-[[2-chloro-5-(trifluoromethyl)phenyl]-(3-methoxyphenyl)methyl]-1,4-diazepane
CID 3841489
1-[[2-chloro-5-(trifluoromethyl)phenyl]-thiophen-3-ylmethyl]piperidine-2-carboxylic acid
CID 4015272
1-[(R)-(2-chloro-6-fluorophenyl)-thiophen-3-ylmethyl]piperazine
CID 171175232

Frequently Asked Questions

What is the IUPAC name of 1-[[2-chloro-5-(trifluoromethyl)phenyl]-thiophen-3-ylmethyl]piperazine?
The IUPAC name of 1-[[2-chloro-5-(trifluoromethyl)phenyl]-thiophen-3-ylmethyl]piperazine (CID 4013561) is 1-[[2-chloro-5-(trifluoromethyl)phenyl]-thiophen-3-ylmethyl]piperazine.
What is the SMILES notation for 1-[[2-chloro-5-(trifluoromethyl)phenyl]-thiophen-3-ylmethyl]piperazine?
The canonical SMILES for 1-[[2-chloro-5-(trifluoromethyl)phenyl]-thiophen-3-ylmethyl]piperazine is FC(F)(F)c1ccc(Cl)c(C(c2ccsc2)N2CCNCC2)c1.
What is the InChIKey of 1-[[2-chloro-5-(trifluoromethyl)phenyl]-thiophen-3-ylmethyl]piperazine?
The InChIKey is MNUYCFZCUQAJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF3N2S/c17-14-2-1-12(16(18,19)20)9-13(14)15(11-3-8-23-10-11)22-6-4-21-5-7-22/h1-3,8-10,15,21H,4-7H2.
What are the key properties of 1-[[2-chloro-5-(trifluoromethyl)phenyl]-thiophen-3-ylmethyl]piperazine?
1-[[2-chloro-5-(trifluoromethyl)phenyl]-thiophen-3-ylmethyl]piperazine has a molecular weight of 360.83 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-chloro-5-(trifluoromethyl)phenyl]-thiophen-3-ylmethyl]piperazine is sourced from PubChem (CID 4013561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).