1-[[2-chloro-5-(trifluoromethyl)phenyl]-(5-methylthiophen-2-yl)methyl]piperazine

C17H18ClF3N2S — CID 3973688

IUPAC1-[[2-chloro-5-(trifluoromethyl)phenyl]-(5-methylthiophen-2-yl)methyl]piperazine
SMILESCc1ccc(C(c2cc(C(F)(F)F)ccc2Cl)N2CCNCC2)s1
InChIInChI=1S/C17H18ClF3N2S/c1-11-2-5-15(24-11)16(23-8-6-22-7-9-23)13-10-12(17(19,20)21)3-4-14(13)18/h2-5,10,16,22H,6-9H2,1H3
InChIKeyWHYJQDVSHYJBIY-UHFFFAOYSA-N
MW374.86 g/mol
LogP4.72
Rot. Bonds3

About 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(5-methylthiophen-2-yl)methyl]piperazine

1-[[2-chloro-5-(trifluoromethyl)phenyl]-(5-methylthiophen-2-yl)methyl]piperazine (PubChem CID 3973688) has the molecular formula C17H18ClF3N2S and a molecular weight of 374.86 g/mol. Its IUPAC name is 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(5-methylthiophen-2-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[[2-chloro-5-(trifluoromethyl)phenyl]-(5-methylthiophen-2-yl)methyl]piperazine
PubChem CID3973688
Molecular FormulaC17H18ClF3N2S
Molecular Weight374.86 g/mol
Exact Mass374.08
IUPAC Name1-[[2-chloro-5-(trifluoromethyl)phenyl]-(5-methylthiophen-2-yl)methyl]piperazine
SMILESCc1ccc(C(c2cc(C(F)(F)F)ccc2Cl)N2CCNCC2)s1
InChIInChI=1S/C17H18ClF3N2S/c1-11-2-5-15(24-11)16(23-8-6-22-7-9-23)13-10-12(17(19,20)21)3-4-14(13)18/h2-5,10,16,22H,6-9H2,1H3
InChIKeyWHYJQDVSHYJBIY-UHFFFAOYSA-N
XLogP4.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.86
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(S)-[2-chloro-5-(trifluoromethyl)phenyl]-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171292780
1-[[2-chloro-5-(trifluoromethyl)phenyl]-(4-methylphenyl)methyl]-1,4-diazepane
CID 3575085
1-[(S)-[2,4-bis(trifluoromethyl)phenyl]-(5-chlorothiophen-2-yl)methyl]piperazine;hydrochloride
CID 171177362
1-[[2-chloro-5-(trifluoromethyl)phenyl]-thiophen-3-ylmethyl]piperazine
CID 4013561
1-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]ethyl]piperazine;dihydrochloride
CID 171292767
1-[[2-chloro-5-(trifluoromethyl)phenyl]-(2,4-dichlorophenyl)methyl]-1,4-diazepane
CID 3765362
1-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171292788
1-[(1S)-1-[2-chloro-5-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171280166
1-[[2-chloro-5-(trifluoromethyl)phenyl]-(5-methyl-2-pyridinyl)methyl]-1,4-diazepane
CID 3251232
1-[(1S)-1-[2-chloro-5-(trifluoromethyl)phenyl]butyl]piperazine;hydrochloride
CID 171166433
1-[[2-chloro-5-(trifluoromethyl)phenyl]-(4-phenylphenyl)methyl]-1,4-diazepane
CID 3769891
1-[[2-chloro-5-(trifluoromethyl)phenyl]-(3,4-dimethoxyphenyl)methyl]-1,4-diazepane
CID 3725214

Frequently Asked Questions

What is the IUPAC name of 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(5-methylthiophen-2-yl)methyl]piperazine?
The IUPAC name of 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(5-methylthiophen-2-yl)methyl]piperazine (CID 3973688) is 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(5-methylthiophen-2-yl)methyl]piperazine.
What is the SMILES notation for 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(5-methylthiophen-2-yl)methyl]piperazine?
The canonical SMILES for 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(5-methylthiophen-2-yl)methyl]piperazine is Cc1ccc(C(c2cc(C(F)(F)F)ccc2Cl)N2CCNCC2)s1.
What is the InChIKey of 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(5-methylthiophen-2-yl)methyl]piperazine?
The InChIKey is WHYJQDVSHYJBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClF3N2S/c1-11-2-5-15(24-11)16(23-8-6-22-7-9-23)13-10-12(17(19,20)21)3-4-14(13)18/h2-5,10,16,22H,6-9H2,1H3.
What are the key properties of 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(5-methylthiophen-2-yl)methyl]piperazine?
1-[[2-chloro-5-(trifluoromethyl)phenyl]-(5-methylthiophen-2-yl)methyl]piperazine has a molecular weight of 374.86 g/mol, XLogP of 4.72, 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]-(5-methylthiophen-2-yl)methyl]piperazine is sourced from PubChem (CID 3973688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).