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

C11H18Cl2F2N2S — CID 171275661

IUPAC1-[(1S)-2,2-difluoro-1-(5-methylthiophen-2-yl)ethyl]piperazine;dihydrochloride
SMILESCc1ccc([C@H](C(F)F)N2CCNCC2)s1.Cl.Cl
InChIInChI=1S/C11H16F2N2S.2ClH/c1-8-2-3-9(16-8)10(11(12)13)15-6-4-14-5-7-15;;/h2-3,10-11,14H,4-7H2,1H3;2*1H/t10-;;/m1../s1
InChIKeyVTWIYNZIJRCOMC-YQFADDPSSA-N
MW319.25 g/mol
LogP3.11
Rot. Bonds3

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

1-[(1S)-2,2-difluoro-1-(5-methylthiophen-2-yl)ethyl]piperazine;dihydrochloride (PubChem CID 171275661) has the molecular formula C11H18Cl2F2N2S and a molecular weight of 319.25 g/mol. Its IUPAC name is 1-[(1S)-2,2-difluoro-1-(5-methylthiophen-2-yl)ethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1S)-2,2-difluoro-1-(5-methylthiophen-2-yl)ethyl]piperazine;dihydrochloride
PubChem CID171275661
Molecular FormulaC11H18Cl2F2N2S
Molecular Weight319.25 g/mol
Exact Mass318.05
IUPAC Name1-[(1S)-2,2-difluoro-1-(5-methylthiophen-2-yl)ethyl]piperazine;dihydrochloride
SMILESCc1ccc([C@H](C(F)F)N2CCNCC2)s1.Cl.Cl
InChIInChI=1S/C11H16F2N2S.2ClH/c1-8-2-3-9(16-8)10(11(12)13)15-6-4-14-5-7-15;;/h2-3,10-11,14H,4-7H2,1H3;2*1H/t10-;;/m1../s1
InChIKeyVTWIYNZIJRCOMC-YQFADDPSSA-N
XLogP3.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.25
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(1S)-2,2-difluoro-1-(5-methylthiophen-2-yl)ethyl]piperazine;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1R)-2-methyl-1-(5-methylthiophen-2-yl)butyl]piperazine;dihydrochloride
CID 171304419
1-[(1S)-1-(5-bromothiophen-2-yl)-2,2-difluoroethyl]piperazine
CID 131553593
1-[(1S)-2-fluoro-1-(5-methylthiophen-2-yl)ethyl]piperazine;dihydrochloride
CID 171275662
1-[(S)-cyclopropyl-(5-methylthiophen-2-yl)methyl]piperazine;dihydrochloride
CID 171275666
1-[(R)-cyclopentyl-(5-methylthiophen-2-yl)methyl]piperazine;dihydrochloride
CID 171288298
1-[(1R)-2,2-difluoro-1-(4-methylphenyl)ethyl]piperazine;dihydrochloride
CID 171281539
1-[(1S)-1-(5-methylthiophen-2-yl)prop-2-enyl]piperazine
CID 131340109
1-[(1S)-2,2-difluoro-1-(4-fluorophenyl)ethyl]piperazine;dihydrochloride
CID 171285864
1-[(S)-(5-methylthiophen-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171275678
1-[(1R)-2,2-difluoro-1-(2,3,6-trifluorophenyl)ethyl]piperazine;dihydrochloride
CID 171277667
1-[(1S)-1-(4-bromothiophen-2-yl)-2,2-difluoroethyl]piperazine
CID 131429782
1-[(1S)-1-(3,5-dimethylphenyl)-2,2-difluoroethyl]piperazine
CID 171288145

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-2,2-difluoro-1-(5-methylthiophen-2-yl)ethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1S)-2,2-difluoro-1-(5-methylthiophen-2-yl)ethyl]piperazine;dihydrochloride (CID 171275661) is 1-[(1S)-2,2-difluoro-1-(5-methylthiophen-2-yl)ethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1S)-2,2-difluoro-1-(5-methylthiophen-2-yl)ethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1S)-2,2-difluoro-1-(5-methylthiophen-2-yl)ethyl]piperazine;dihydrochloride is Cc1ccc([C@H](C(F)F)N2CCNCC2)s1.Cl.Cl.
What is the InChIKey of 1-[(1S)-2,2-difluoro-1-(5-methylthiophen-2-yl)ethyl]piperazine;dihydrochloride?
The InChIKey is VTWIYNZIJRCOMC-YQFADDPSSA-N. The full InChI is InChI=1S/C11H16F2N2S.2ClH/c1-8-2-3-9(16-8)10(11(12)13)15-6-4-14-5-7-15;;/h2-3,10-11,14H,4-7H2,1H3;2*1H/t10-;;/m1../s1.
What are the key properties of 1-[(1S)-2,2-difluoro-1-(5-methylthiophen-2-yl)ethyl]piperazine;dihydrochloride?
1-[(1S)-2,2-difluoro-1-(5-methylthiophen-2-yl)ethyl]piperazine;dihydrochloride has a molecular weight of 319.25 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-2,2-difluoro-1-(5-methylthiophen-2-yl)ethyl]piperazine;dihydrochloride is sourced from PubChem (CID 171275661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).