1-[(1R)-1-(4-bromothiophen-2-yl)pent-4-enyl]piperazine

C13H19BrN2S — CID 171285422

IUPAC1-[(1R)-1-(4-bromothiophen-2-yl)pent-4-enyl]piperazine
SMILESC=CCC[C@H](c1cc(Br)cs1)N1CCNCC1
InChIInChI=1S/C13H19BrN2S/c1-2-3-4-12(13-9-11(14)10-17-13)16-7-5-15-6-8-16/h2,9-10,12,15H,1,3-8H2/t12-/m1/s1
InChIKeyKIFOYKWSVROBAR-GFCCVEGCSA-N
MW315.28 g/mol
LogP3.42
Rot. Bonds5

About 1-[(1R)-1-(4-bromothiophen-2-yl)pent-4-enyl]piperazine

1-[(1R)-1-(4-bromothiophen-2-yl)pent-4-enyl]piperazine (PubChem CID 171285422) has the molecular formula C13H19BrN2S and a molecular weight of 315.28 g/mol. Its IUPAC name is 1-[(1R)-1-(4-bromothiophen-2-yl)pent-4-enyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(4-bromothiophen-2-yl)pent-4-enyl]piperazine
PubChem CID171285422
Molecular FormulaC13H19BrN2S
Molecular Weight315.28 g/mol
Exact Mass314.05
IUPAC Name1-[(1R)-1-(4-bromothiophen-2-yl)pent-4-enyl]piperazine
SMILESC=CCC[C@H](c1cc(Br)cs1)N1CCNCC1
InChIInChI=1S/C13H19BrN2S/c1-2-3-4-12(13-9-11(14)10-17-13)16-7-5-15-6-8-16/h2,9-10,12,15H,1,3-8H2/t12-/m1/s1
InChIKeyKIFOYKWSVROBAR-GFCCVEGCSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.28
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[(1R)-1-(5-bromo-4-methylthiophen-2-yl)pent-4-enyl]piperazine
CID 171288951
1-[(1R)-1-(4-bromothiophen-2-yl)propyl]piperazine
CID 95490471
1-[(1S)-1-(4-bromophenyl)pent-4-enyl]piperazine
CID 171273720
1-[(1S)-1-(3-bromothiophen-2-yl)pent-4-enyl]piperazine;dihydrochloride
CID 171281061
1-[(1R)-1-(2,5-dibromophenyl)pent-4-enyl]piperazine;dihydrochloride
CID 171296249
1-[(1R)-1-(4-bromothiophen-2-yl)-3,3,3-trifluoropropyl]piperazine
CID 171303292
1-[(1S)-1-(4-bromothiophen-2-yl)-3-methylbutyl]piperazine;dihydrochloride
CID 171272791
1-[(1S)-1-(4-bromothiophen-2-yl)-3,3,3-trifluoropropyl]piperazine;dihydrochloride
CID 171302329
2,4-dibromo-6-[(1R)-1-piperazin-1-ylpent-4-enyl]phenol;dihydrochloride
CID 171284800
4-bromo-2-[(1S)-1-piperazin-1-ylpent-4-enyl]phenol;dihydrochloride
CID 171272892
4-bromo-2-methyl-6-[(1R)-1-piperazin-1-ylpent-4-enyl]phenol
CID 171300750
1-[(1S)-1-(4,5-dimethylfuran-2-yl)pent-4-enyl]piperazine
CID 171282669

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(4-bromothiophen-2-yl)pent-4-enyl]piperazine?
The IUPAC name of 1-[(1R)-1-(4-bromothiophen-2-yl)pent-4-enyl]piperazine (CID 171285422) is 1-[(1R)-1-(4-bromothiophen-2-yl)pent-4-enyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(4-bromothiophen-2-yl)pent-4-enyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(4-bromothiophen-2-yl)pent-4-enyl]piperazine is C=CCC[C@H](c1cc(Br)cs1)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(4-bromothiophen-2-yl)pent-4-enyl]piperazine?
The InChIKey is KIFOYKWSVROBAR-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H19BrN2S/c1-2-3-4-12(13-9-11(14)10-17-13)16-7-5-15-6-8-16/h2,9-10,12,15H,1,3-8H2/t12-/m1/s1.
What are the key properties of 1-[(1R)-1-(4-bromothiophen-2-yl)pent-4-enyl]piperazine?
1-[(1R)-1-(4-bromothiophen-2-yl)pent-4-enyl]piperazine has a molecular weight of 315.28 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(4-bromothiophen-2-yl)pent-4-enyl]piperazine is sourced from PubChem (CID 171285422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).