1-[(1S)-2-fluoro-1-(5-methylthiophen-2-yl)ethyl]piperazine;dihydrochloride

C11H19Cl2FN2S — CID 171275662

IUPAC1-[(1S)-2-fluoro-1-(5-methylthiophen-2-yl)ethyl]piperazine;dihydrochloride
SMILESCc1ccc([C@H](CF)N2CCNCC2)s1.Cl.Cl
InChIInChI=1S/C11H17FN2S.2ClH/c1-9-2-3-11(15-9)10(8-12)14-6-4-13-5-7-14;;/h2-3,10,13H,4-8H2,1H3;2*1H/t10-;;/m0../s1
InChIKeyJWUUFZLENWLNIT-XRIOVQLTSA-N
MW301.26 g/mol
LogP2.82
Rot. Bonds3

About 1-[(1S)-2-fluoro-1-(5-methylthiophen-2-yl)ethyl]piperazine;dihydrochloride

1-[(1S)-2-fluoro-1-(5-methylthiophen-2-yl)ethyl]piperazine;dihydrochloride (PubChem CID 171275662) has the molecular formula C11H19Cl2FN2S and a molecular weight of 301.26 g/mol. Its IUPAC name is 1-[(1S)-2-fluoro-1-(5-methylthiophen-2-yl)ethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1S)-2-fluoro-1-(5-methylthiophen-2-yl)ethyl]piperazine;dihydrochloride
PubChem CID171275662
Molecular FormulaC11H19Cl2FN2S
Molecular Weight301.26 g/mol
Exact Mass300.06
IUPAC Name1-[(1S)-2-fluoro-1-(5-methylthiophen-2-yl)ethyl]piperazine;dihydrochloride
SMILESCc1ccc([C@H](CF)N2CCNCC2)s1.Cl.Cl
InChIInChI=1S/C11H17FN2S.2ClH/c1-9-2-3-11(15-9)10(8-12)14-6-4-13-5-7-14;;/h2-3,10,13H,4-8H2,1H3;2*1H/t10-;;/m0../s1
InChIKeyJWUUFZLENWLNIT-XRIOVQLTSA-N
XLogP2.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-1-(5-chlorothiophen-2-yl)-2-fluoroethyl]piperazine
CID 131442620
1-[(1S)-2,2-difluoro-1-(5-methylthiophen-2-yl)ethyl]piperazine;dihydrochloride
CID 171275661
1-[(1S)-2-fluoro-1-(5-nitrothiophen-2-yl)ethyl]piperazine;dihydrochloride
CID 171284440
1-[(1R)-2-fluoro-1-thiophen-2-ylethyl]piperazine;dihydrochloride
CID 171294136
1-[(1R)-2-methyl-1-(5-methylthiophen-2-yl)butyl]piperazine;dihydrochloride
CID 171304419
1-[(1S)-2-fluoro-1-(5-nitrothiophen-2-yl)ethyl]piperazine
CID 171284439
1-[(S)-cyclopropyl-(5-methylthiophen-2-yl)methyl]piperazine;dihydrochloride
CID 171275666
1-[(1S)-1-(5-methylthiophen-2-yl)prop-2-enyl]piperazine
CID 131340109
1-[(R)-cyclopentyl-(5-methylthiophen-2-yl)methyl]piperazine;dihydrochloride
CID 171288298
1-[(1S)-1-(5-ethylthiophen-2-yl)-4,4,4-trifluorobutyl]piperazine;dihydrochloride
CID 171302999
1-[(1S)-1-(3,4-dimethylphenyl)-2-fluoroethyl]piperazine;hydrochloride
CID 171181724
1-[1-(5-chlorothiophen-2-yl)propyl]piperazine
CID 82294535

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-2-fluoro-1-(5-methylthiophen-2-yl)ethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1S)-2-fluoro-1-(5-methylthiophen-2-yl)ethyl]piperazine;dihydrochloride (CID 171275662) is 1-[(1S)-2-fluoro-1-(5-methylthiophen-2-yl)ethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1S)-2-fluoro-1-(5-methylthiophen-2-yl)ethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1S)-2-fluoro-1-(5-methylthiophen-2-yl)ethyl]piperazine;dihydrochloride is Cc1ccc([C@H](CF)N2CCNCC2)s1.Cl.Cl.
What is the InChIKey of 1-[(1S)-2-fluoro-1-(5-methylthiophen-2-yl)ethyl]piperazine;dihydrochloride?
The InChIKey is JWUUFZLENWLNIT-XRIOVQLTSA-N. The full InChI is InChI=1S/C11H17FN2S.2ClH/c1-9-2-3-11(15-9)10(8-12)14-6-4-13-5-7-14;;/h2-3,10,13H,4-8H2,1H3;2*1H/t10-;;/m0../s1.
What are the key properties of 1-[(1S)-2-fluoro-1-(5-methylthiophen-2-yl)ethyl]piperazine;dihydrochloride?
1-[(1S)-2-fluoro-1-(5-methylthiophen-2-yl)ethyl]piperazine;dihydrochloride has a molecular weight of 301.26 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-2-fluoro-1-(5-methylthiophen-2-yl)ethyl]piperazine;dihydrochloride is sourced from PubChem (CID 171275662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).