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

C12H19BrN2S — CID 63635018

IUPAC4-[(5-bromothiophen-2-yl)methyl]-1-ethyl-2-methylpiperazine
SMILESCCN1CCN(Cc2ccc(Br)s2)CC1C
InChIInChI=1S/C12H19BrN2S/c1-3-15-7-6-14(8-10(15)2)9-11-4-5-12(13)16-11/h4-5,10H,3,6-9H2,1-2H3
InChIKeyAJNBDCKEBNAPQY-UHFFFAOYSA-N
MW303.27 g/mol
LogP3.04
Rot. Bonds3

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

4-[(5-bromothiophen-2-yl)methyl]-1-ethyl-2-methylpiperazine (PubChem CID 63635018) has the molecular formula C12H19BrN2S and a molecular weight of 303.27 g/mol. Its IUPAC name is 4-[(5-bromothiophen-2-yl)methyl]-1-ethyl-2-methylpiperazine.

Molecular Properties

Compound Name4-[(5-bromothiophen-2-yl)methyl]-1-ethyl-2-methylpiperazine
PubChem CID63635018
Molecular FormulaC12H19BrN2S
Molecular Weight303.27 g/mol
Exact Mass302.05
IUPAC Name4-[(5-bromothiophen-2-yl)methyl]-1-ethyl-2-methylpiperazine
SMILESCCN1CCN(Cc2ccc(Br)s2)CC1C
InChIInChI=1S/C12H19BrN2S/c1-3-15-7-6-14(8-10(15)2)9-11-4-5-12(13)16-11/h4-5,10H,3,6-9H2,1-2H3
InChIKeyAJNBDCKEBNAPQY-UHFFFAOYSA-N
XLogP3.04
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromothiophen-2-yl)methyl]-1-ethyl-2-methylpiperazine?
The IUPAC name of 4-[(5-bromothiophen-2-yl)methyl]-1-ethyl-2-methylpiperazine (CID 63635018) is 4-[(5-bromothiophen-2-yl)methyl]-1-ethyl-2-methylpiperazine.
What is the SMILES notation for 4-[(5-bromothiophen-2-yl)methyl]-1-ethyl-2-methylpiperazine?
The canonical SMILES for 4-[(5-bromothiophen-2-yl)methyl]-1-ethyl-2-methylpiperazine is CCN1CCN(Cc2ccc(Br)s2)CC1C.
What is the InChIKey of 4-[(5-bromothiophen-2-yl)methyl]-1-ethyl-2-methylpiperazine?
The InChIKey is AJNBDCKEBNAPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2S/c1-3-15-7-6-14(8-10(15)2)9-11-4-5-12(13)16-11/h4-5,10H,3,6-9H2,1-2H3.
What are the key properties of 4-[(5-bromothiophen-2-yl)methyl]-1-ethyl-2-methylpiperazine?
4-[(5-bromothiophen-2-yl)methyl]-1-ethyl-2-methylpiperazine has a molecular weight of 303.27 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromothiophen-2-yl)methyl]-1-ethyl-2-methylpiperazine is sourced from PubChem (CID 63635018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).