1-[(R)-thiophen-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride

C16H19Cl2F3N2S — CID 171273194

IUPAC1-[(R)-thiophen-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
SMILESCl.Cl.FC(F)(F)c1ccc([C@H](c2cccs2)N2CCNCC2)cc1
InChIInChI=1S/C16H17F3N2S.2ClH/c17-16(18,19)13-5-3-12(4-6-13)15(14-2-1-11-22-14)21-9-7-20-8-10-21;;/h1-6,11,15,20H,7-10H2;2*1H/t15-;;/m1../s1
InChIKeyWJVNFKCINBIROR-QCUBGVIVSA-N
MW399.31 g/mol
LogP4.61
Rot. Bonds3

About 1-[(R)-thiophen-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride

1-[(R)-thiophen-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride (PubChem CID 171273194) has the molecular formula C16H19Cl2F3N2S and a molecular weight of 399.31 g/mol. Its IUPAC name is 1-[(R)-thiophen-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(R)-thiophen-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
PubChem CID171273194
Molecular FormulaC16H19Cl2F3N2S
Molecular Weight399.31 g/mol
Exact Mass398.06
IUPAC Name1-[(R)-thiophen-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
SMILESCl.Cl.FC(F)(F)c1ccc([C@H](c2cccs2)N2CCNCC2)cc1
InChIInChI=1S/C16H17F3N2S.2ClH/c17-16(18,19)13-5-3-12(4-6-13)15(14-2-1-11-22-14)21-9-7-20-8-10-21;;/h1-6,11,15,20H,7-10H2;2*1H/t15-;;/m1../s1
InChIKeyWJVNFKCINBIROR-QCUBGVIVSA-N
XLogP4.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.31
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(S)-[3,5-bis(trifluoromethyl)phenyl]-thiophen-2-ylmethyl]piperazine
CID 171174966
1-[(S)-thiophen-2-yl-[4-(trifluoromethylsulfanyl)phenyl]methyl]piperazine;dihydrochloride
CID 171291625
1-[(R)-(4-chlorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171281575
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-[(R)-[2-bromo-5-(trifluoromethyl)phenyl]-thiophen-2-ylmethyl]piperazine;hydrochloride
CID 171179897
1-[(S)-[2-chloro-5-(trifluoromethyl)phenyl]-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171292780
1-[(R)-(4-iodophenyl)-thiophen-2-ylmethyl]piperazine
CID 171276045
1-[(R)-[4-fluoro-3-(trifluoromethyl)phenyl]-thiophen-2-ylmethyl]piperazine
CID 171179028
1-[(R)-(4-phenylphenyl)-thiophen-2-ylmethyl]piperazine
CID 171279536
1-[1-benzothiophen-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 4214236
1-[(4-phenylphenyl)-[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 3939194

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-thiophen-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(R)-thiophen-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride (CID 171273194) is 1-[(R)-thiophen-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(R)-thiophen-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(R)-thiophen-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride is Cl.Cl.FC(F)(F)c1ccc([C@H](c2cccs2)N2CCNCC2)cc1.
What is the InChIKey of 1-[(R)-thiophen-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride?
The InChIKey is WJVNFKCINBIROR-QCUBGVIVSA-N. The full InChI is InChI=1S/C16H17F3N2S.2ClH/c17-16(18,19)13-5-3-12(4-6-13)15(14-2-1-11-22-14)21-9-7-20-8-10-21;;/h1-6,11,15,20H,7-10H2;2*1H/t15-;;/m1../s1.
What are the key properties of 1-[(R)-thiophen-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride?
1-[(R)-thiophen-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride has a molecular weight of 399.31 g/mol, XLogP of 4.61, 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-[4-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride is sourced from PubChem (CID 171273194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).