1-[(1S)-2,2,2-trifluoro-1-(3-methylthiophen-2-yl)ethyl]piperazine;dihydrochloride

C11H17Cl2F3N2S — CID 171276192

IUPAC1-[(1S)-2,2,2-trifluoro-1-(3-methylthiophen-2-yl)ethyl]piperazine;dihydrochloride
SMILESCc1ccsc1[C@@H](N1CCNCC1)C(F)(F)F.Cl.Cl
InChIInChI=1S/C11H15F3N2S.2ClH/c1-8-2-7-17-9(8)10(11(12,13)14)16-5-3-15-4-6-16;;/h2,7,10,15H,3-6H2,1H3;2*1H/t10-;;/m1../s1
InChIKeyYUENZMOWXCBBBG-YQFADDPSSA-N
MW337.24 g/mol
LogP3.41
Rot. Bonds2

About 1-[(1S)-2,2,2-trifluoro-1-(3-methylthiophen-2-yl)ethyl]piperazine;dihydrochloride

1-[(1S)-2,2,2-trifluoro-1-(3-methylthiophen-2-yl)ethyl]piperazine;dihydrochloride (PubChem CID 171276192) has the molecular formula C11H17Cl2F3N2S and a molecular weight of 337.24 g/mol. Its IUPAC name is 1-[(1S)-2,2,2-trifluoro-1-(3-methylthiophen-2-yl)ethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1S)-2,2,2-trifluoro-1-(3-methylthiophen-2-yl)ethyl]piperazine;dihydrochloride
PubChem CID171276192
Molecular FormulaC11H17Cl2F3N2S
Molecular Weight337.24 g/mol
Exact Mass336.04
IUPAC Name1-[(1S)-2,2,2-trifluoro-1-(3-methylthiophen-2-yl)ethyl]piperazine;dihydrochloride
SMILESCc1ccsc1[C@@H](N1CCNCC1)C(F)(F)F.Cl.Cl
InChIInChI=1S/C11H15F3N2S.2ClH/c1-8-2-7-17-9(8)10(11(12,13)14)16-5-3-15-4-6-16;;/h2,7,10,15H,3-6H2,1H3;2*1H/t10-;;/m1../s1
InChIKeyYUENZMOWXCBBBG-YQFADDPSSA-N
XLogP3.41
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.24
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-2,2,2-trifluoro-1-(3-methylthiophen-2-yl)ethyl]piperazine;dihydrochloride
CID 171288817
1-[(1S)-1-(3-methylthiophen-2-yl)propyl]piperazine;dihydrochloride
CID 171276189
1-[(S)-cyclopropyl-(3-methylthiophen-2-yl)methyl]piperazine;dihydrochloride
CID 171276198
1-[(1R)-2,2,2-trifluoro-1-(2-methylphenyl)ethyl]piperazine;dihydrochloride
CID 171280306
1-[(3-methylthiophen-2-yl)-[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane
CID 3718190
1-[(1R)-1-(5-bromo-2-methylphenyl)-2,2,2-trifluoroethyl]piperazine
CID 171179200
1-[(1R)-2,2,2-trifluoro-1-(3-fluoro-4-methylphenyl)ethyl]piperazine;dihydrochloride
CID 171277142
1-[(1S)-2,2,2-trifluoro-1-(4-methylsulfanylphenyl)ethyl]piperazine;hydrochloride
CID 171177666
2,6-dimethyl-4-[(1R)-2,2,2-trifluoro-1-piperazin-1-ylethyl]phenol;dihydrochloride
CID 171277630
1-[(1S)-1-(2,5-dimethylphenyl)-2,2,2-trifluoroethyl]piperazine
CID 171178089
1-[(4-chlorophenyl)-(3-methylthiophen-2-yl)methyl]piperazine
CID 5002630
1-[(1S)-1-(2-chloro-6-methylphenyl)-2,2,2-trifluoroethyl]piperazine;hydrochloride
CID 171177438

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-2,2,2-trifluoro-1-(3-methylthiophen-2-yl)ethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1S)-2,2,2-trifluoro-1-(3-methylthiophen-2-yl)ethyl]piperazine;dihydrochloride (CID 171276192) is 1-[(1S)-2,2,2-trifluoro-1-(3-methylthiophen-2-yl)ethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1S)-2,2,2-trifluoro-1-(3-methylthiophen-2-yl)ethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1S)-2,2,2-trifluoro-1-(3-methylthiophen-2-yl)ethyl]piperazine;dihydrochloride is Cc1ccsc1[C@@H](N1CCNCC1)C(F)(F)F.Cl.Cl.
What is the InChIKey of 1-[(1S)-2,2,2-trifluoro-1-(3-methylthiophen-2-yl)ethyl]piperazine;dihydrochloride?
The InChIKey is YUENZMOWXCBBBG-YQFADDPSSA-N. The full InChI is InChI=1S/C11H15F3N2S.2ClH/c1-8-2-7-17-9(8)10(11(12,13)14)16-5-3-15-4-6-16;;/h2,7,10,15H,3-6H2,1H3;2*1H/t10-;;/m1../s1.
What are the key properties of 1-[(1S)-2,2,2-trifluoro-1-(3-methylthiophen-2-yl)ethyl]piperazine;dihydrochloride?
1-[(1S)-2,2,2-trifluoro-1-(3-methylthiophen-2-yl)ethyl]piperazine;dihydrochloride has a molecular weight of 337.24 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-2,2,2-trifluoro-1-(3-methylthiophen-2-yl)ethyl]piperazine;dihydrochloride is sourced from PubChem (CID 171276192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).