1-[(R)-thiophen-2-yl-(2,4,5-trifluorophenyl)methyl]piperazine

C15H15F3N2S — CID 171180610

IUPAC1-[(R)-thiophen-2-yl-(2,4,5-trifluorophenyl)methyl]piperazine
SMILESFc1cc(F)c([C@H](c2cccs2)N2CCNCC2)cc1F
InChIInChI=1S/C15H15F3N2S/c16-11-9-13(18)12(17)8-10(11)15(14-2-1-7-21-14)20-5-3-19-4-6-20/h1-2,7-9,15,19H,3-6H2/t15-/m1/s1
InChIKeyZQZXGKQCMCIAED-OAHLLOKOSA-N
MW312.36 g/mol
LogP3.16
Rot. Bonds3

About 1-[(R)-thiophen-2-yl-(2,4,5-trifluorophenyl)methyl]piperazine

1-[(R)-thiophen-2-yl-(2,4,5-trifluorophenyl)methyl]piperazine (PubChem CID 171180610) has the molecular formula C15H15F3N2S and a molecular weight of 312.36 g/mol. Its IUPAC name is 1-[(R)-thiophen-2-yl-(2,4,5-trifluorophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(R)-thiophen-2-yl-(2,4,5-trifluorophenyl)methyl]piperazine
PubChem CID171180610
Molecular FormulaC15H15F3N2S
Molecular Weight312.36 g/mol
Exact Mass312.09
IUPAC Name1-[(R)-thiophen-2-yl-(2,4,5-trifluorophenyl)methyl]piperazine
SMILESFc1cc(F)c([C@H](c2cccs2)N2CCNCC2)cc1F
InChIInChI=1S/C15H15F3N2S/c16-11-9-13(18)12(17)8-10(11)15(14-2-1-7-21-14)20-5-3-19-4-6-20/h1-2,7-9,15,19H,3-6H2/t15-/m1/s1
InChIKeyZQZXGKQCMCIAED-OAHLLOKOSA-N
XLogP3.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-[(S)-(2-fluoro-5-methylphenyl)-thiophen-2-ylmethyl]piperazine
CID 171175862
3-fluoro-4-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol
CID 171175142
1-[(S)-(2-fluoro-5-iodophenyl)-thiophen-2-ylmethyl]piperazine;hydrochloride
CID 171178136
1-[(R)-[2-fluoro-4-(trifluoromethyl)phenyl]-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171279064
1-[(R)-[2-fluoro-5-(trifluoromethyl)phenyl]-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171280132
1-[(2-fluorophenyl)-thiophen-2-ylmethyl]-1,4-diazepane
CID 3756282
1-[(S)-[2-fluoro-5-(trifluoromethoxy)phenyl]-thiophen-2-ylmethyl]piperazine
CID 171178153
1-[(S)-(2-fluoro-5-nitrophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171290741
1-[(R)-(2-chloro-4-fluorophenyl)-thiophen-2-ylmethyl]piperazine;hydrochloride
CID 171179722
1-[(R)-(2-bromo-4-fluorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171274866
1-[(R)-(2-chloro-4-fluorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171277028
1-[(S)-(4-bromo-2,6-difluorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171291239

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-thiophen-2-yl-(2,4,5-trifluorophenyl)methyl]piperazine?
The IUPAC name of 1-[(R)-thiophen-2-yl-(2,4,5-trifluorophenyl)methyl]piperazine (CID 171180610) is 1-[(R)-thiophen-2-yl-(2,4,5-trifluorophenyl)methyl]piperazine.
What is the SMILES notation for 1-[(R)-thiophen-2-yl-(2,4,5-trifluorophenyl)methyl]piperazine?
The canonical SMILES for 1-[(R)-thiophen-2-yl-(2,4,5-trifluorophenyl)methyl]piperazine is Fc1cc(F)c([C@H](c2cccs2)N2CCNCC2)cc1F.
What is the InChIKey of 1-[(R)-thiophen-2-yl-(2,4,5-trifluorophenyl)methyl]piperazine?
The InChIKey is ZQZXGKQCMCIAED-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H15F3N2S/c16-11-9-13(18)12(17)8-10(11)15(14-2-1-7-21-14)20-5-3-19-4-6-20/h1-2,7-9,15,19H,3-6H2/t15-/m1/s1.
What are the key properties of 1-[(R)-thiophen-2-yl-(2,4,5-trifluorophenyl)methyl]piperazine?
1-[(R)-thiophen-2-yl-(2,4,5-trifluorophenyl)methyl]piperazine has a molecular weight of 312.36 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-thiophen-2-yl-(2,4,5-trifluorophenyl)methyl]piperazine is sourced from PubChem (CID 171180610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).