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

C16H27BrN2S — CID 64875991

IUPAC1-[(4-bromothiophen-2-yl)methyl]-2,2,5-triethyl-5-methylpiperazine
SMILESCCC1(C)CN(Cc2cc(Br)cs2)C(CC)(CC)CN1
InChIInChI=1S/C16H27BrN2S/c1-5-15(4)12-19(9-14-8-13(17)10-20-14)16(6-2,7-3)11-18-15/h8,10,18H,5-7,9,11-12H2,1-4H3
InChIKeyULNKWWIHJGKSBX-UHFFFAOYSA-N
MW359.38 g/mol
LogP4.64
Rot. Bonds5

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

1-[(4-bromothiophen-2-yl)methyl]-2,2,5-triethyl-5-methylpiperazine (PubChem CID 64875991) has the molecular formula C16H27BrN2S and a molecular weight of 359.38 g/mol. Its IUPAC name is 1-[(4-bromothiophen-2-yl)methyl]-2,2,5-triethyl-5-methylpiperazine.

Molecular Properties

Compound Name1-[(4-bromothiophen-2-yl)methyl]-2,2,5-triethyl-5-methylpiperazine
PubChem CID64875991
Molecular FormulaC16H27BrN2S
Molecular Weight359.38 g/mol
Exact Mass358.11
IUPAC Name1-[(4-bromothiophen-2-yl)methyl]-2,2,5-triethyl-5-methylpiperazine
SMILESCCC1(C)CN(Cc2cc(Br)cs2)C(CC)(CC)CN1
InChIInChI=1S/C16H27BrN2S/c1-5-15(4)12-19(9-14-8-13(17)10-20-14)16(6-2,7-3)11-18-15/h8,10,18H,5-7,9,11-12H2,1-4H3
InChIKeyULNKWWIHJGKSBX-UHFFFAOYSA-N
XLogP4.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(4-bromothiophen-2-yl)methyl]-2,2,5-triethyl-5-methylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromothiophen-2-yl)methyl]-2,2,5-triethyl-5-methylpiperazine?
The IUPAC name of 1-[(4-bromothiophen-2-yl)methyl]-2,2,5-triethyl-5-methylpiperazine (CID 64875991) is 1-[(4-bromothiophen-2-yl)methyl]-2,2,5-triethyl-5-methylpiperazine.
What is the SMILES notation for 1-[(4-bromothiophen-2-yl)methyl]-2,2,5-triethyl-5-methylpiperazine?
The canonical SMILES for 1-[(4-bromothiophen-2-yl)methyl]-2,2,5-triethyl-5-methylpiperazine is CCC1(C)CN(Cc2cc(Br)cs2)C(CC)(CC)CN1.
What is the InChIKey of 1-[(4-bromothiophen-2-yl)methyl]-2,2,5-triethyl-5-methylpiperazine?
The InChIKey is ULNKWWIHJGKSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27BrN2S/c1-5-15(4)12-19(9-14-8-13(17)10-20-14)16(6-2,7-3)11-18-15/h8,10,18H,5-7,9,11-12H2,1-4H3.
What are the key properties of 1-[(4-bromothiophen-2-yl)methyl]-2,2,5-triethyl-5-methylpiperazine?
1-[(4-bromothiophen-2-yl)methyl]-2,2,5-triethyl-5-methylpiperazine has a molecular weight of 359.38 g/mol, XLogP of 4.64, 5 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]-2,2,5-triethyl-5-methylpiperazine is sourced from PubChem (CID 64875991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).