1-[(1S)-1-(5-ethylthiophen-2-yl)-3-methylbutyl]piperazine;dihydrochloride

C15H28Cl2N2S — CID 171281368

IUPAC1-[(1S)-1-(5-ethylthiophen-2-yl)-3-methylbutyl]piperazine;dihydrochloride
SMILESCCc1ccc([C@H](CC(C)C)N2CCNCC2)s1.Cl.Cl
InChIInChI=1S/C15H26N2S.2ClH/c1-4-13-5-6-15(18-13)14(11-12(2)3)17-9-7-16-8-10-17;;/h5-6,12,14,16H,4,7-11H2,1-3H3;2*1H/t14-;;/m0../s1
InChIKeyDTZYDKATZCEKDQ-UTLKBRERSA-N
MW339.38 g/mol
LogP4.15
Rot. Bonds5

About 1-[(1S)-1-(5-ethylthiophen-2-yl)-3-methylbutyl]piperazine;dihydrochloride

1-[(1S)-1-(5-ethylthiophen-2-yl)-3-methylbutyl]piperazine;dihydrochloride (PubChem CID 171281368) has the molecular formula C15H28Cl2N2S and a molecular weight of 339.38 g/mol. Its IUPAC name is 1-[(1S)-1-(5-ethylthiophen-2-yl)-3-methylbutyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1S)-1-(5-ethylthiophen-2-yl)-3-methylbutyl]piperazine;dihydrochloride
PubChem CID171281368
Molecular FormulaC15H28Cl2N2S
Molecular Weight339.38 g/mol
Exact Mass338.14
IUPAC Name1-[(1S)-1-(5-ethylthiophen-2-yl)-3-methylbutyl]piperazine;dihydrochloride
SMILESCCc1ccc([C@H](CC(C)C)N2CCNCC2)s1.Cl.Cl
InChIInChI=1S/C15H26N2S.2ClH/c1-4-13-5-6-15(18-13)14(11-12(2)3)17-9-7-16-8-10-17;;/h5-6,12,14,16H,4,7-11H2,1-3H3;2*1H/t14-;;/m0../s1
InChIKeyDTZYDKATZCEKDQ-UTLKBRERSA-N
XLogP4.15
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-1-(5-ethylthiophen-2-yl)-4-methylpentyl]piperazine;dihydrochloride
CID 171311160
1-[(1S)-1-(5-ethylthiophen-2-yl)-4,4,4-trifluorobutyl]piperazine;dihydrochloride
CID 171302999
1-[(1R)-2-cyclopropyl-1-(5-ethylthiophen-2-yl)ethyl]piperazine;dihydrochloride
CID 171293988
1-[1-(5-ethylthiophen-2-yl)-2-pyridin-2-ylethyl]piperazine
CID 4642854
1-[(1S)-1-(4-bromothiophen-2-yl)-3-methylbutyl]piperazine;dihydrochloride
CID 171272791
1-[(S)-cyclohexyl-(5-ethylthiophen-2-yl)methyl]piperazine
CID 171281355
1-[(1R)-3-methyl-1-(4-propan-2-ylphenyl)butyl]piperazine;dihydrochloride
CID 171286892
methyl 2-(5-ethylthiophen-2-yl)-2-piperazin-1-ylacetate
CID 62347366
1-[(5-ethylthiophen-2-yl)-(4-methoxyphenyl)methyl]piperazine
CID 3902292
1-[(1S)-2-fluoro-1-(5-methylthiophen-2-yl)ethyl]piperazine;dihydrochloride
CID 171275662
1-[1-(5-chlorothiophen-2-yl)propyl]piperazine
CID 82294535
1-[(S)-(5-ethylthiophen-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171281362

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(5-ethylthiophen-2-yl)-3-methylbutyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1S)-1-(5-ethylthiophen-2-yl)-3-methylbutyl]piperazine;dihydrochloride (CID 171281368) is 1-[(1S)-1-(5-ethylthiophen-2-yl)-3-methylbutyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1S)-1-(5-ethylthiophen-2-yl)-3-methylbutyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1S)-1-(5-ethylthiophen-2-yl)-3-methylbutyl]piperazine;dihydrochloride is CCc1ccc([C@H](CC(C)C)N2CCNCC2)s1.Cl.Cl.
What is the InChIKey of 1-[(1S)-1-(5-ethylthiophen-2-yl)-3-methylbutyl]piperazine;dihydrochloride?
The InChIKey is DTZYDKATZCEKDQ-UTLKBRERSA-N. The full InChI is InChI=1S/C15H26N2S.2ClH/c1-4-13-5-6-15(18-13)14(11-12(2)3)17-9-7-16-8-10-17;;/h5-6,12,14,16H,4,7-11H2,1-3H3;2*1H/t14-;;/m0../s1.
What are the key properties of 1-[(1S)-1-(5-ethylthiophen-2-yl)-3-methylbutyl]piperazine;dihydrochloride?
1-[(1S)-1-(5-ethylthiophen-2-yl)-3-methylbutyl]piperazine;dihydrochloride has a molecular weight of 339.38 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(5-ethylthiophen-2-yl)-3-methylbutyl]piperazine;dihydrochloride is sourced from PubChem (CID 171281368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).