1-[(R)-(5-chlorothiophen-2-yl)-[4-methoxy-2-(trifluoromethyl)phenyl]methyl]piperazine

C17H18ClF3N2OS — CID 171180166

IUPAC1-[(R)-(5-chlorothiophen-2-yl)-[4-methoxy-2-(trifluoromethyl)phenyl]methyl]piperazine
SMILESCOc1ccc([C@H](c2ccc(Cl)s2)N2CCNCC2)c(C(F)(F)F)c1
InChIInChI=1S/C17H18ClF3N2OS/c1-24-11-2-3-12(13(10-11)17(19,20)21)16(14-4-5-15(18)25-14)23-8-6-22-7-9-23/h2-5,10,16,22H,6-9H2,1H3/t16-/m1/s1
InChIKeyMPDYGRRQGTVPES-MRXNPFEDSA-N
MW390.86 g/mol
LogP4.42
Rot. Bonds4

About 1-[(R)-(5-chlorothiophen-2-yl)-[4-methoxy-2-(trifluoromethyl)phenyl]methyl]piperazine

1-[(R)-(5-chlorothiophen-2-yl)-[4-methoxy-2-(trifluoromethyl)phenyl]methyl]piperazine (PubChem CID 171180166) has the molecular formula C17H18ClF3N2OS and a molecular weight of 390.86 g/mol. Its IUPAC name is 1-[(R)-(5-chlorothiophen-2-yl)-[4-methoxy-2-(trifluoromethyl)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-[(R)-(5-chlorothiophen-2-yl)-[4-methoxy-2-(trifluoromethyl)phenyl]methyl]piperazine
PubChem CID171180166
Molecular FormulaC17H18ClF3N2OS
Molecular Weight390.86 g/mol
Exact Mass390.08
IUPAC Name1-[(R)-(5-chlorothiophen-2-yl)-[4-methoxy-2-(trifluoromethyl)phenyl]methyl]piperazine
SMILESCOc1ccc([C@H](c2ccc(Cl)s2)N2CCNCC2)c(C(F)(F)F)c1
InChIInChI=1S/C17H18ClF3N2OS/c1-24-11-2-3-12(13(10-11)17(19,20)21)16(14-4-5-15(18)25-14)23-8-6-22-7-9-23/h2-5,10,16,22H,6-9H2,1H3/t16-/m1/s1
InChIKeyMPDYGRRQGTVPES-MRXNPFEDSA-N
XLogP4.42
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.86
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(R)-(5-chlorothiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methyl]piperazine;hydrochloride
CID 171178614
1-[(R)-(5-chlorothiophen-2-yl)-[4-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine
CID 171180368
1-[(S)-[2,4-bis(trifluoromethyl)phenyl]-(5-chlorothiophen-2-yl)methyl]piperazine;hydrochloride
CID 171177362
1-[(S)-(5-chlorothiophen-2-yl)-[4-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 171176975
1-[(R)-(5-chlorothiophen-2-yl)-[4-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 171180369
1-[(1R)-2,2,2-trifluoro-1-[4-methoxy-2-(trifluoromethyl)phenyl]ethyl]piperazine
CID 171180130
1-[(1S)-2,2,2-trifluoro-1-[4-methoxy-2-(trifluoromethyl)phenyl]ethyl]piperazine
CID 171176764
1-[(R)-(5-chlorothiophen-2-yl)-(2-fluoro-4,5-dimethoxyphenyl)methyl]piperazine;hydrochloride
CID 171181189
1-[(5-chlorothiophen-2-yl)-(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 4693826
1-[(1R)-3,3,3-trifluoro-1-[4-methoxy-2-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride
CID 171171043
1-[(S)-furan-2-yl-[4-methoxy-2-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 171176785
1-[(1R)-1-[4-methoxy-2-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171292085

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(5-chlorothiophen-2-yl)-[4-methoxy-2-(trifluoromethyl)phenyl]methyl]piperazine?
The IUPAC name of 1-[(R)-(5-chlorothiophen-2-yl)-[4-methoxy-2-(trifluoromethyl)phenyl]methyl]piperazine (CID 171180166) is 1-[(R)-(5-chlorothiophen-2-yl)-[4-methoxy-2-(trifluoromethyl)phenyl]methyl]piperazine.
What is the SMILES notation for 1-[(R)-(5-chlorothiophen-2-yl)-[4-methoxy-2-(trifluoromethyl)phenyl]methyl]piperazine?
The canonical SMILES for 1-[(R)-(5-chlorothiophen-2-yl)-[4-methoxy-2-(trifluoromethyl)phenyl]methyl]piperazine is COc1ccc([C@H](c2ccc(Cl)s2)N2CCNCC2)c(C(F)(F)F)c1.
What is the InChIKey of 1-[(R)-(5-chlorothiophen-2-yl)-[4-methoxy-2-(trifluoromethyl)phenyl]methyl]piperazine?
The InChIKey is MPDYGRRQGTVPES-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H18ClF3N2OS/c1-24-11-2-3-12(13(10-11)17(19,20)21)16(14-4-5-15(18)25-14)23-8-6-22-7-9-23/h2-5,10,16,22H,6-9H2,1H3/t16-/m1/s1.
What are the key properties of 1-[(R)-(5-chlorothiophen-2-yl)-[4-methoxy-2-(trifluoromethyl)phenyl]methyl]piperazine?
1-[(R)-(5-chlorothiophen-2-yl)-[4-methoxy-2-(trifluoromethyl)phenyl]methyl]piperazine has a molecular weight of 390.86 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-(5-chlorothiophen-2-yl)-[4-methoxy-2-(trifluoromethyl)phenyl]methyl]piperazine is sourced from PubChem (CID 171180166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).