1-[(1R)-1-(5-bromo-4-methylthiophen-2-yl)-4-methylpentyl]piperazine

C15H25BrN2S — CID 171310839

IUPAC1-[(1R)-1-(5-bromo-4-methylthiophen-2-yl)-4-methylpentyl]piperazine
SMILESCc1cc([C@@H](CCC(C)C)N2CCNCC2)sc1Br
InChIInChI=1S/C15H25BrN2S/c1-11(2)4-5-13(18-8-6-17-7-9-18)14-10-12(3)15(16)19-14/h10-11,13,17H,4-9H2,1-3H3/t13-/m1/s1
InChIKeyJYNVXJGYGNVIPH-CYBMUJFWSA-N
MW345.35 g/mol
LogP4.20
Rot. Bonds5

About 1-[(1R)-1-(5-bromo-4-methylthiophen-2-yl)-4-methylpentyl]piperazine

1-[(1R)-1-(5-bromo-4-methylthiophen-2-yl)-4-methylpentyl]piperazine (PubChem CID 171310839) has the molecular formula C15H25BrN2S and a molecular weight of 345.35 g/mol. Its IUPAC name is 1-[(1R)-1-(5-bromo-4-methylthiophen-2-yl)-4-methylpentyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(5-bromo-4-methylthiophen-2-yl)-4-methylpentyl]piperazine
PubChem CID171310839
Molecular FormulaC15H25BrN2S
Molecular Weight345.35 g/mol
Exact Mass344.09
IUPAC Name1-[(1R)-1-(5-bromo-4-methylthiophen-2-yl)-4-methylpentyl]piperazine
SMILESCc1cc([C@@H](CCC(C)C)N2CCNCC2)sc1Br
InChIInChI=1S/C15H25BrN2S/c1-11(2)4-5-13(18-8-6-17-7-9-18)14-10-12(3)15(16)19-14/h10-11,13,17H,4-9H2,1-3H3/t13-/m1/s1
InChIKeyJYNVXJGYGNVIPH-CYBMUJFWSA-N
XLogP4.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-1-(5-bromo-4-methylthiophen-2-yl)butyl]piperazine;dihydrochloride
CID 171276319
1-[(1R)-1-(5-bromo-4-methylthiophen-2-yl)-4,4,4-trifluorobutyl]piperazine;dihydrochloride
CID 171303559
1-[(1S)-1-(5-bromo-4-methylthiophen-2-yl)hexyl]piperazine
CID 171308979
1-[(1R)-1-(5-bromo-4-methylthiophen-2-yl)pent-4-enyl]piperazine
CID 171288951
1-[(1S)-1-(5-bromo-4-methylthiophen-2-yl)hexyl]piperazine;dihydrochloride
CID 171308980
(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-[(1R)-4-methyl-1-thiophen-2-ylpentyl]piperazine
CID 171311169
1-[(1R)-1-(5-ethylthiophen-2-yl)-4-methylpentyl]piperazine;dihydrochloride
CID 171311160
1-[(1R)-4-methyl-1-(2,4,6-trimethylphenyl)pentyl]piperazine;dihydrochloride
CID 171310942
1-[(1S)-1-(5-bromo-4-methylthiophen-2-yl)prop-2-enyl]piperazine;dihydrochloride
CID 171276296
2-(4,5-dibromothiophen-2-yl)-2-piperazin-1-ylethanol
CID 102843442

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(5-bromo-4-methylthiophen-2-yl)-4-methylpentyl]piperazine?
The IUPAC name of 1-[(1R)-1-(5-bromo-4-methylthiophen-2-yl)-4-methylpentyl]piperazine (CID 171310839) is 1-[(1R)-1-(5-bromo-4-methylthiophen-2-yl)-4-methylpentyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(5-bromo-4-methylthiophen-2-yl)-4-methylpentyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(5-bromo-4-methylthiophen-2-yl)-4-methylpentyl]piperazine is Cc1cc([C@@H](CCC(C)C)N2CCNCC2)sc1Br.
What is the InChIKey of 1-[(1R)-1-(5-bromo-4-methylthiophen-2-yl)-4-methylpentyl]piperazine?
The InChIKey is JYNVXJGYGNVIPH-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H25BrN2S/c1-11(2)4-5-13(18-8-6-17-7-9-18)14-10-12(3)15(16)19-14/h10-11,13,17H,4-9H2,1-3H3/t13-/m1/s1.
What are the key properties of 1-[(1R)-1-(5-bromo-4-methylthiophen-2-yl)-4-methylpentyl]piperazine?
1-[(1R)-1-(5-bromo-4-methylthiophen-2-yl)-4-methylpentyl]piperazine has a molecular weight of 345.35 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(5-bromo-4-methylthiophen-2-yl)-4-methylpentyl]piperazine is sourced from PubChem (CID 171310839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).