1-[(4-bromothiophen-2-yl)methyl]-2,2-diethyl-5,5-dimethylpiperazine

C15H25BrN2S — CID 64843823

IUPAC1-[(4-bromothiophen-2-yl)methyl]-2,2-diethyl-5,5-dimethylpiperazine
SMILESCCC1(CC)CNC(C)(C)CN1Cc1cc(Br)cs1
InChIInChI=1S/C15H25BrN2S/c1-5-15(6-2)10-17-14(3,4)11-18(15)8-13-7-12(16)9-19-13/h7,9,17H,5-6,8,10-11H2,1-4H3
InChIKeyYPLGJLZPAVWZOY-UHFFFAOYSA-N
MW345.35 g/mol
LogP4.25
Rot. Bonds4

About 1-[(4-bromothiophen-2-yl)methyl]-2,2-diethyl-5,5-dimethylpiperazine

1-[(4-bromothiophen-2-yl)methyl]-2,2-diethyl-5,5-dimethylpiperazine (PubChem CID 64843823) has the molecular formula C15H25BrN2S and a molecular weight of 345.35 g/mol. Its IUPAC name is 1-[(4-bromothiophen-2-yl)methyl]-2,2-diethyl-5,5-dimethylpiperazine.

Molecular Properties

Compound Name1-[(4-bromothiophen-2-yl)methyl]-2,2-diethyl-5,5-dimethylpiperazine
PubChem CID64843823
Molecular FormulaC15H25BrN2S
Molecular Weight345.35 g/mol
Exact Mass344.09
IUPAC Name1-[(4-bromothiophen-2-yl)methyl]-2,2-diethyl-5,5-dimethylpiperazine
SMILESCCC1(CC)CNC(C)(C)CN1Cc1cc(Br)cs1
InChIInChI=1S/C15H25BrN2S/c1-5-15(6-2)10-17-14(3,4)11-18(15)8-13-7-12(16)9-19-13/h7,9,17H,5-6,8,10-11H2,1-4H3
InChIKeyYPLGJLZPAVWZOY-UHFFFAOYSA-N
XLogP4.25
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 ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromothiophen-2-yl)methyl]-2,2-diethyl-5,5-dimethylpiperazine?
The IUPAC name of 1-[(4-bromothiophen-2-yl)methyl]-2,2-diethyl-5,5-dimethylpiperazine (CID 64843823) is 1-[(4-bromothiophen-2-yl)methyl]-2,2-diethyl-5,5-dimethylpiperazine.
What is the SMILES notation for 1-[(4-bromothiophen-2-yl)methyl]-2,2-diethyl-5,5-dimethylpiperazine?
The canonical SMILES for 1-[(4-bromothiophen-2-yl)methyl]-2,2-diethyl-5,5-dimethylpiperazine is CCC1(CC)CNC(C)(C)CN1Cc1cc(Br)cs1.
What is the InChIKey of 1-[(4-bromothiophen-2-yl)methyl]-2,2-diethyl-5,5-dimethylpiperazine?
The InChIKey is YPLGJLZPAVWZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN2S/c1-5-15(6-2)10-17-14(3,4)11-18(15)8-13-7-12(16)9-19-13/h7,9,17H,5-6,8,10-11H2,1-4H3.
What are the key properties of 1-[(4-bromothiophen-2-yl)methyl]-2,2-diethyl-5,5-dimethylpiperazine?
1-[(4-bromothiophen-2-yl)methyl]-2,2-diethyl-5,5-dimethylpiperazine has a molecular weight of 345.35 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromothiophen-2-yl)methyl]-2,2-diethyl-5,5-dimethylpiperazine is sourced from PubChem (CID 64843823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).