1-[(5-bromothiophen-2-yl)methyl]-4-methylpiperazine

C10H15BrN2S — CID 677217

IUPAC1-[(5-bromothiophen-2-yl)methyl]-4-methylpiperazine
SMILESCN1CCN(Cc2ccc(Br)s2)CC1
InChIInChI=1S/C10H15BrN2S/c1-12-4-6-13(7-5-12)8-9-2-3-10(11)14-9/h2-3H,4-8H2,1H3
InChIKeyICTSOUROTZTVHN-UHFFFAOYSA-N
MW275.21 g/mol
LogP2.26
Rot. Bonds2

About 1-[(5-bromothiophen-2-yl)methyl]-4-methylpiperazine

1-[(5-bromothiophen-2-yl)methyl]-4-methylpiperazine (PubChem CID 677217) has the molecular formula C10H15BrN2S and a molecular weight of 275.21 g/mol. Its IUPAC name is 1-[(5-bromothiophen-2-yl)methyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(5-bromothiophen-2-yl)methyl]-4-methylpiperazine
PubChem CID677217
Molecular FormulaC10H15BrN2S
Molecular Weight275.21 g/mol
Exact Mass274.01
IUPAC Name1-[(5-bromothiophen-2-yl)methyl]-4-methylpiperazine
SMILESCN1CCN(Cc2ccc(Br)s2)CC1
InChIInChI=1S/C10H15BrN2S/c1-12-4-6-13(7-5-12)8-9-2-3-10(11)14-9/h2-3H,4-8H2,1H3
InChIKeyICTSOUROTZTVHN-UHFFFAOYSA-N
XLogP2.26
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.21
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-bromothiophen-2-yl)methyl]-4-(cyclopropylmethyl)piperazine
CID 54944633
4-[(5-bromothiophen-2-yl)methyl]-1-methylpiperazin-2-one
CID 64694976
6-[[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 16580714
(2S)-2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-3-methylbutanenitrile
CID 97212095
1-[(5-bromothiophen-2-yl)methyl]-4-(2,5-dimethylphenyl)piperazine
CID 1376197
1-[(5-bromothiophen-2-yl)methyl]-4,4-dimethylazepane
CID 65282791
7-[(5-bromothiophen-2-yl)methyl]-2-methyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
CID 91910631
1-[(5-bromothiophen-2-yl)methyl]-3,3-dimethylpyrrolidine
CID 79037902
1-[1-[(5-bromothiophen-2-yl)methyl]piperidin-4-yl]ethanol
CID 103656926
[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 51177009
1-[(5-bromothiophen-2-yl)methyl]pyrrolidine-3,4-diol
CID 106672227
[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 51177010

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromothiophen-2-yl)methyl]-4-methylpiperazine?
The IUPAC name of 1-[(5-bromothiophen-2-yl)methyl]-4-methylpiperazine (CID 677217) is 1-[(5-bromothiophen-2-yl)methyl]-4-methylpiperazine.
What is the SMILES notation for 1-[(5-bromothiophen-2-yl)methyl]-4-methylpiperazine?
The canonical SMILES for 1-[(5-bromothiophen-2-yl)methyl]-4-methylpiperazine is CN1CCN(Cc2ccc(Br)s2)CC1.
What is the InChIKey of 1-[(5-bromothiophen-2-yl)methyl]-4-methylpiperazine?
The InChIKey is ICTSOUROTZTVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2S/c1-12-4-6-13(7-5-12)8-9-2-3-10(11)14-9/h2-3H,4-8H2,1H3.
What are the key properties of 1-[(5-bromothiophen-2-yl)methyl]-4-methylpiperazine?
1-[(5-bromothiophen-2-yl)methyl]-4-methylpiperazine has a molecular weight of 275.21 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromothiophen-2-yl)methyl]-4-methylpiperazine is sourced from PubChem (CID 677217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).