1-[(1R)-1-(5-chlorothiophen-2-yl)-4,4,4-trifluorobutyl]piperazine;dihydrochloride

C12H18Cl3F3N2S — CID 171303413

IUPAC1-[(1R)-1-(5-chlorothiophen-2-yl)-4,4,4-trifluorobutyl]piperazine;dihydrochloride
SMILESCl.Cl.FC(F)(F)CC[C@H](c1ccc(Cl)s1)N1CCNCC1
InChIInChI=1S/C12H16ClF3N2S.2ClH/c13-11-2-1-10(19-11)9(3-4-12(14,15)16)18-7-5-17-6-8-18;;/h1-2,9,17H,3-8H2;2*1H/t9-;;/m1../s1
InChIKeyRTMGVYAJLFUTKC-KLQYNRQASA-N
MW385.71 g/mol
LogP4.53
Rot. Bonds4

About 1-[(1R)-1-(5-chlorothiophen-2-yl)-4,4,4-trifluorobutyl]piperazine;dihydrochloride

1-[(1R)-1-(5-chlorothiophen-2-yl)-4,4,4-trifluorobutyl]piperazine;dihydrochloride (PubChem CID 171303413) has the molecular formula C12H18Cl3F3N2S and a molecular weight of 385.71 g/mol. Its IUPAC name is 1-[(1R)-1-(5-chlorothiophen-2-yl)-4,4,4-trifluorobutyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(5-chlorothiophen-2-yl)-4,4,4-trifluorobutyl]piperazine;dihydrochloride
PubChem CID171303413
Molecular FormulaC12H18Cl3F3N2S
Molecular Weight385.71 g/mol
Exact Mass384.02
IUPAC Name1-[(1R)-1-(5-chlorothiophen-2-yl)-4,4,4-trifluorobutyl]piperazine;dihydrochloride
SMILESCl.Cl.FC(F)(F)CC[C@H](c1ccc(Cl)s1)N1CCNCC1
InChIInChI=1S/C12H16ClF3N2S.2ClH/c13-11-2-1-10(19-11)9(3-4-12(14,15)16)18-7-5-17-6-8-18;;/h1-2,9,17H,3-8H2;2*1H/t9-;;/m1../s1
InChIKeyRTMGVYAJLFUTKC-KLQYNRQASA-N
XLogP4.53
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.71
LogP ≤ 54.53
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)-1-(5-ethylthiophen-2-yl)-4,4,4-trifluorobutyl]piperazine;dihydrochloride
CID 171302999
1-[(1R)-1-(5-chlorothiophen-2-yl)pentyl]piperazine
CID 171307470
1-[1-(5-chlorothiophen-2-yl)propyl]piperazine
CID 82294535
1-[(1R)-4,4,4-trifluoro-1-thiophen-2-ylbutyl]piperazine;dihydrochloride
CID 171303977
(3S)-3-(5-chlorothiophen-2-yl)-3-piperazin-1-ylpropanenitrile
CID 131464703
1-[(1R)-1-(5-bromo-4-methylthiophen-2-yl)-4,4,4-trifluorobutyl]piperazine;dihydrochloride
CID 171303559
1-[(1S)-1-(5-chlorothiophen-2-yl)-3-methylbut-3-enyl]piperazine
CID 171274388
1-[(1S)-4,4,4-trifluoro-1-(2,3,6-trichlorophenyl)butyl]piperazine;hydrochloride
CID 171167220
1-[(1S)-4,4,4-trifluoro-1-(4-fluorophenyl)butyl]piperazine;dihydrochloride
CID 171302367
1-[1-(5-chlorothiophen-2-yl)ethyl]piperazine
CID 61057830
1-[(1S)-1-(4-chloro-2-fluorophenyl)-4,4,4-trifluorobutyl]piperazine;dihydrochloride
CID 171302569

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(5-chlorothiophen-2-yl)-4,4,4-trifluorobutyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-1-(5-chlorothiophen-2-yl)-4,4,4-trifluorobutyl]piperazine;dihydrochloride (CID 171303413) is 1-[(1R)-1-(5-chlorothiophen-2-yl)-4,4,4-trifluorobutyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-(5-chlorothiophen-2-yl)-4,4,4-trifluorobutyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-(5-chlorothiophen-2-yl)-4,4,4-trifluorobutyl]piperazine;dihydrochloride is Cl.Cl.FC(F)(F)CC[C@H](c1ccc(Cl)s1)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(5-chlorothiophen-2-yl)-4,4,4-trifluorobutyl]piperazine;dihydrochloride?
The InChIKey is RTMGVYAJLFUTKC-KLQYNRQASA-N. The full InChI is InChI=1S/C12H16ClF3N2S.2ClH/c13-11-2-1-10(19-11)9(3-4-12(14,15)16)18-7-5-17-6-8-18;;/h1-2,9,17H,3-8H2;2*1H/t9-;;/m1../s1.
What are the key properties of 1-[(1R)-1-(5-chlorothiophen-2-yl)-4,4,4-trifluorobutyl]piperazine;dihydrochloride?
1-[(1R)-1-(5-chlorothiophen-2-yl)-4,4,4-trifluorobutyl]piperazine;dihydrochloride has a molecular weight of 385.71 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(5-chlorothiophen-2-yl)-4,4,4-trifluorobutyl]piperazine;dihydrochloride is sourced from PubChem (CID 171303413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).