1-[(1R)-4,4,4-trifluoro-1-thiophen-2-ylbutyl]piperazine;dihydrochloride

C12H19Cl2F3N2S — CID 171303977

IUPAC1-[(1R)-4,4,4-trifluoro-1-thiophen-2-ylbutyl]piperazine;dihydrochloride
SMILESCl.Cl.FC(F)(F)CC[C@H](c1cccs1)N1CCNCC1
InChIInChI=1S/C12H17F3N2S.2ClH/c13-12(14,15)4-3-10(11-2-1-9-18-11)17-7-5-16-6-8-17;;/h1-2,9-10,16H,3-8H2;2*1H/t10-;;/m1../s1
InChIKeyGAHGNTGKEUNUDA-YQFADDPSSA-N
MW351.27 g/mol
LogP3.88
Rot. Bonds4

About 1-[(1R)-4,4,4-trifluoro-1-thiophen-2-ylbutyl]piperazine;dihydrochloride

1-[(1R)-4,4,4-trifluoro-1-thiophen-2-ylbutyl]piperazine;dihydrochloride (PubChem CID 171303977) has the molecular formula C12H19Cl2F3N2S and a molecular weight of 351.27 g/mol. Its IUPAC name is 1-[(1R)-4,4,4-trifluoro-1-thiophen-2-ylbutyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-4,4,4-trifluoro-1-thiophen-2-ylbutyl]piperazine;dihydrochloride
PubChem CID171303977
Molecular FormulaC12H19Cl2F3N2S
Molecular Weight351.27 g/mol
Exact Mass350.06
IUPAC Name1-[(1R)-4,4,4-trifluoro-1-thiophen-2-ylbutyl]piperazine;dihydrochloride
SMILESCl.Cl.FC(F)(F)CC[C@H](c1cccs1)N1CCNCC1
InChIInChI=1S/C12H17F3N2S.2ClH/c13-12(14,15)4-3-10(11-2-1-9-18-11)17-7-5-16-6-8-17;;/h1-2,9-10,16H,3-8H2;2*1H/t10-;;/m1../s1
InChIKeyGAHGNTGKEUNUDA-YQFADDPSSA-N
XLogP3.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.27
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-2-fluoro-1-thiophen-2-ylethyl]piperazine;dihydrochloride
CID 171294136
1-[(1R)-1-thiophen-2-ylpentyl]piperazine;dihydrochloride
CID 171308182
1-[(1R)-4-methyl-1-thiophen-2-ylpentyl]piperazine
CID 171311169
1-[(1S)-1-thiophen-2-ylpentyl]piperazine
CID 171309479
1-[(1R)-1-(5-chlorothiophen-2-yl)-4,4,4-trifluorobutyl]piperazine;dihydrochloride
CID 171303413
2-piperazin-1-yl-2-thiophen-2-ylethanamine
CID 82078137
1-[(1S)-1-(5-ethylthiophen-2-yl)-4,4,4-trifluorobutyl]piperazine;dihydrochloride
CID 171302999
1-[(1S)-2-cyclopropyl-1-thiophen-2-ylethyl]piperazine;dihydrochloride
CID 171281527
1-[(1R)-1-(5-bromo-4-methylthiophen-2-yl)-4,4,4-trifluorobutyl]piperazine;dihydrochloride
CID 171303559
1-[(1S)-4,4,4-trifluoro-1-(4-fluorophenyl)butyl]piperazine;dihydrochloride
CID 171302367
1-[(1S)-4,4,4-trifluoro-1-(4-iodophenyl)butyl]piperazine;hydrochloride
CID 171163757
1-[(1S)-4,4,4-trifluoro-1-[4-(trifluoromethyl)phenyl]butyl]piperazine
CID 171162914

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-4,4,4-trifluoro-1-thiophen-2-ylbutyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-4,4,4-trifluoro-1-thiophen-2-ylbutyl]piperazine;dihydrochloride (CID 171303977) is 1-[(1R)-4,4,4-trifluoro-1-thiophen-2-ylbutyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-4,4,4-trifluoro-1-thiophen-2-ylbutyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-4,4,4-trifluoro-1-thiophen-2-ylbutyl]piperazine;dihydrochloride is Cl.Cl.FC(F)(F)CC[C@H](c1cccs1)N1CCNCC1.
What is the InChIKey of 1-[(1R)-4,4,4-trifluoro-1-thiophen-2-ylbutyl]piperazine;dihydrochloride?
The InChIKey is GAHGNTGKEUNUDA-YQFADDPSSA-N. The full InChI is InChI=1S/C12H17F3N2S.2ClH/c13-12(14,15)4-3-10(11-2-1-9-18-11)17-7-5-16-6-8-17;;/h1-2,9-10,16H,3-8H2;2*1H/t10-;;/m1../s1.
What are the key properties of 1-[(1R)-4,4,4-trifluoro-1-thiophen-2-ylbutyl]piperazine;dihydrochloride?
1-[(1R)-4,4,4-trifluoro-1-thiophen-2-ylbutyl]piperazine;dihydrochloride has a molecular weight of 351.27 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-4,4,4-trifluoro-1-thiophen-2-ylbutyl]piperazine;dihydrochloride is sourced from PubChem (CID 171303977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).