1-(4-bromothiophen-2-yl)-2-methyl-2-piperazin-1-ylpropan-1-amine

C12H20BrN3S — CID 116946814

IUPAC1-(4-bromothiophen-2-yl)-2-methyl-2-piperazin-1-ylpropan-1-amine
SMILESCC(C)(C(N)c1cc(Br)cs1)N1CCNCC1
InChIInChI=1S/C12H20BrN3S/c1-12(2,16-5-3-15-4-6-16)11(14)10-7-9(13)8-17-10/h7-8,11,15H,3-6,14H2,1-2H3
InChIKeyZUHKTZLNUDKCJJ-UHFFFAOYSA-N
MW318.28 g/mol
LogP2.19
Rot. Bonds3

About 1-(4-bromothiophen-2-yl)-2-methyl-2-piperazin-1-ylpropan-1-amine

1-(4-bromothiophen-2-yl)-2-methyl-2-piperazin-1-ylpropan-1-amine (PubChem CID 116946814) has the molecular formula C12H20BrN3S and a molecular weight of 318.28 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-2-methyl-2-piperazin-1-ylpropan-1-amine.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-2-methyl-2-piperazin-1-ylpropan-1-amine
PubChem CID116946814
Molecular FormulaC12H20BrN3S
Molecular Weight318.28 g/mol
Exact Mass317.06
IUPAC Name1-(4-bromothiophen-2-yl)-2-methyl-2-piperazin-1-ylpropan-1-amine
SMILESCC(C)(C(N)c1cc(Br)cs1)N1CCNCC1
InChIInChI=1S/C12H20BrN3S/c1-12(2,16-5-3-15-4-6-16)11(14)10-7-9(13)8-17-10/h7-8,11,15H,3-6,14H2,1-2H3
InChIKeyZUHKTZLNUDKCJJ-UHFFFAOYSA-N
XLogP2.19
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.28
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1S)-1-(4-bromothiophen-2-yl)-2,2-dimethylpropyl]piperazine
CID 171272792
1-[(1R)-1-(4-bromothiophen-2-yl)propyl]piperazine
CID 95490471
1-(2,4-dimethylphenyl)-2-methyl-2-piperazin-1-ylpropan-1-amine
CID 116946807
1-(3-fluorophenyl)-2-methyl-2-piperazin-1-ylpropan-1-amine
CID 116946820
1-[(1S)-1-(4-bromothiophen-2-yl)-2,2-difluoroethyl]piperazine
CID 131429782
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
(4-bromothiophen-2-yl)-piperidin-4-ylmethanamine
CID 82307070
(1S)-1-(4-bromothiophen-2-yl)ethanamine
CID 64712232
1-[(1S)-1-(4-bromothiophen-2-yl)-3,3,3-trifluoropropyl]piperazine;dihydrochloride
CID 171302329
(1S)-1-(4-bromothiophen-2-yl)ethanamine;hydrochloride
CID 155903190
2-methyl-1-(5-methylthiophen-3-yl)-2-pyrrolidin-1-ylpropan-1-amine
CID 79056215

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-2-methyl-2-piperazin-1-ylpropan-1-amine?
The IUPAC name of 1-(4-bromothiophen-2-yl)-2-methyl-2-piperazin-1-ylpropan-1-amine (CID 116946814) is 1-(4-bromothiophen-2-yl)-2-methyl-2-piperazin-1-ylpropan-1-amine.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-2-methyl-2-piperazin-1-ylpropan-1-amine?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-2-methyl-2-piperazin-1-ylpropan-1-amine is CC(C)(C(N)c1cc(Br)cs1)N1CCNCC1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-2-methyl-2-piperazin-1-ylpropan-1-amine?
The InChIKey is ZUHKTZLNUDKCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN3S/c1-12(2,16-5-3-15-4-6-16)11(14)10-7-9(13)8-17-10/h7-8,11,15H,3-6,14H2,1-2H3.
What are the key properties of 1-(4-bromothiophen-2-yl)-2-methyl-2-piperazin-1-ylpropan-1-amine?
1-(4-bromothiophen-2-yl)-2-methyl-2-piperazin-1-ylpropan-1-amine has a molecular weight of 318.28 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)-2-methyl-2-piperazin-1-ylpropan-1-amine is sourced from PubChem (CID 116946814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).