1-[(1S)-1-(5-bromo-4-methylthiophen-2-yl)hexyl]piperazine

C15H25BrN2S — CID 171308979

IUPAC1-[(1S)-1-(5-bromo-4-methylthiophen-2-yl)hexyl]piperazine
SMILESCCCCC[C@@H](c1cc(C)c(Br)s1)N1CCNCC1
InChIInChI=1S/C15H25BrN2S/c1-3-4-5-6-13(18-9-7-17-8-10-18)14-11-12(2)15(16)19-14/h11,13,17H,3-10H2,1-2H3/t13-/m0/s1
InChIKeyOIUCOEIOPPFOQY-ZDUSSCGKSA-N
MW345.35 g/mol
LogP4.35
Rot. Bonds6

About 1-[(1S)-1-(5-bromo-4-methylthiophen-2-yl)hexyl]piperazine

1-[(1S)-1-(5-bromo-4-methylthiophen-2-yl)hexyl]piperazine (PubChem CID 171308979) has the molecular formula C15H25BrN2S and a molecular weight of 345.35 g/mol. Its IUPAC name is 1-[(1S)-1-(5-bromo-4-methylthiophen-2-yl)hexyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-1-(5-bromo-4-methylthiophen-2-yl)hexyl]piperazine
PubChem CID171308979
Molecular FormulaC15H25BrN2S
Molecular Weight345.35 g/mol
Exact Mass344.09
IUPAC Name1-[(1S)-1-(5-bromo-4-methylthiophen-2-yl)hexyl]piperazine
SMILESCCCCC[C@@H](c1cc(C)c(Br)s1)N1CCNCC1
InChIInChI=1S/C15H25BrN2S/c1-3-4-5-6-13(18-9-7-17-8-10-18)14-11-12(2)15(16)19-14/h11,13,17H,3-10H2,1-2H3/t13-/m0/s1
InChIKeyOIUCOEIOPPFOQY-ZDUSSCGKSA-N
XLogP4.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(1S)-1-(5-bromo-4-methylthiophen-2-yl)hexyl]piperazine;dihydrochloride
CID 171308980
1-[(1S)-1-(5-bromo-4-methylthiophen-2-yl)butyl]piperazine;dihydrochloride
CID 171276319
1-[(1R)-1-(5-bromo-4-methylthiophen-2-yl)-4-methylpentyl]piperazine
CID 171310839
1-[(1R)-1-(5-bromo-4-methylthiophen-2-yl)-4,4,4-trifluorobutyl]piperazine;dihydrochloride
CID 171303559
1-[(1R)-1-(5-bromo-4-methylthiophen-2-yl)pent-4-enyl]piperazine
CID 171288951
(3R)-3-(5-bromo-4-methylthiophen-2-yl)-3-piperazin-1-ylpropanenitrile
CID 171306721
1-[(1R)-1-(5-bromo-4-methylthiophen-2-yl)but-3-enyl]piperazine
CID 171288927
1-[(1S)-1-thiophen-2-ylpentyl]piperazine
CID 171309479
1-[(1R)-1-(5-chlorothiophen-2-yl)pentyl]piperazine
CID 171307470
1-[(1R)-1-thiophen-2-ylpentyl]piperazine;dihydrochloride
CID 171308182
1-[(1S)-1-(3,4-dibromophenyl)hexyl]piperazine
CID 171309713
1-[(1S)-1-(3-methylthiophen-2-yl)hexyl]piperazine
CID 171308967

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(5-bromo-4-methylthiophen-2-yl)hexyl]piperazine?
The IUPAC name of 1-[(1S)-1-(5-bromo-4-methylthiophen-2-yl)hexyl]piperazine (CID 171308979) is 1-[(1S)-1-(5-bromo-4-methylthiophen-2-yl)hexyl]piperazine.
What is the SMILES notation for 1-[(1S)-1-(5-bromo-4-methylthiophen-2-yl)hexyl]piperazine?
The canonical SMILES for 1-[(1S)-1-(5-bromo-4-methylthiophen-2-yl)hexyl]piperazine is CCCCC[C@@H](c1cc(C)c(Br)s1)N1CCNCC1.
What is the InChIKey of 1-[(1S)-1-(5-bromo-4-methylthiophen-2-yl)hexyl]piperazine?
The InChIKey is OIUCOEIOPPFOQY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H25BrN2S/c1-3-4-5-6-13(18-9-7-17-8-10-18)14-11-12(2)15(16)19-14/h11,13,17H,3-10H2,1-2H3/t13-/m0/s1.
What are the key properties of 1-[(1S)-1-(5-bromo-4-methylthiophen-2-yl)hexyl]piperazine?
1-[(1S)-1-(5-bromo-4-methylthiophen-2-yl)hexyl]piperazine has a molecular weight of 345.35 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(5-bromo-4-methylthiophen-2-yl)hexyl]piperazine is sourced from PubChem (CID 171308979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).