1-[(5-bromothiophen-2-yl)methyl]-2-ethyl-2-methyl-5-propan-2-ylpiperazine

C15H25BrN2S — CID 64840423

IUPAC1-[(5-bromothiophen-2-yl)methyl]-2-ethyl-2-methyl-5-propan-2-ylpiperazine
SMILESCCC1(C)CNC(C(C)C)CN1Cc1ccc(Br)s1
InChIInChI=1S/C15H25BrN2S/c1-5-15(4)10-17-13(11(2)3)9-18(15)8-12-6-7-14(16)19-12/h6-7,11,13,17H,5,8-10H2,1-4H3
InChIKeyHAQFFESUAWYJIL-UHFFFAOYSA-N
MW345.35 g/mol
LogP4.11
Rot. Bonds4

About 1-[(5-bromothiophen-2-yl)methyl]-2-ethyl-2-methyl-5-propan-2-ylpiperazine

1-[(5-bromothiophen-2-yl)methyl]-2-ethyl-2-methyl-5-propan-2-ylpiperazine (PubChem CID 64840423) has the molecular formula C15H25BrN2S and a molecular weight of 345.35 g/mol. Its IUPAC name is 1-[(5-bromothiophen-2-yl)methyl]-2-ethyl-2-methyl-5-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[(5-bromothiophen-2-yl)methyl]-2-ethyl-2-methyl-5-propan-2-ylpiperazine
PubChem CID64840423
Molecular FormulaC15H25BrN2S
Molecular Weight345.35 g/mol
Exact Mass344.09
IUPAC Name1-[(5-bromothiophen-2-yl)methyl]-2-ethyl-2-methyl-5-propan-2-ylpiperazine
SMILESCCC1(C)CNC(C(C)C)CN1Cc1ccc(Br)s1
InChIInChI=1S/C15H25BrN2S/c1-5-15(4)10-17-13(11(2)3)9-18(15)8-12-6-7-14(16)19-12/h6-7,11,13,17H,5,8-10H2,1-4H3
InChIKeyHAQFFESUAWYJIL-UHFFFAOYSA-N
XLogP4.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromothiophen-2-yl)methyl]-2-ethyl-2-methyl-5-propan-2-ylpiperazine?
The IUPAC name of 1-[(5-bromothiophen-2-yl)methyl]-2-ethyl-2-methyl-5-propan-2-ylpiperazine (CID 64840423) is 1-[(5-bromothiophen-2-yl)methyl]-2-ethyl-2-methyl-5-propan-2-ylpiperazine.
What is the SMILES notation for 1-[(5-bromothiophen-2-yl)methyl]-2-ethyl-2-methyl-5-propan-2-ylpiperazine?
The canonical SMILES for 1-[(5-bromothiophen-2-yl)methyl]-2-ethyl-2-methyl-5-propan-2-ylpiperazine is CCC1(C)CNC(C(C)C)CN1Cc1ccc(Br)s1.
What is the InChIKey of 1-[(5-bromothiophen-2-yl)methyl]-2-ethyl-2-methyl-5-propan-2-ylpiperazine?
The InChIKey is HAQFFESUAWYJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN2S/c1-5-15(4)10-17-13(11(2)3)9-18(15)8-12-6-7-14(16)19-12/h6-7,11,13,17H,5,8-10H2,1-4H3.
What are the key properties of 1-[(5-bromothiophen-2-yl)methyl]-2-ethyl-2-methyl-5-propan-2-ylpiperazine?
1-[(5-bromothiophen-2-yl)methyl]-2-ethyl-2-methyl-5-propan-2-ylpiperazine has a molecular weight of 345.35 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromothiophen-2-yl)methyl]-2-ethyl-2-methyl-5-propan-2-ylpiperazine is sourced from PubChem (CID 64840423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).