1-[(4-bromothiophen-2-yl)methyl]-5-cyclopropyl-2,2-diethylpiperazine

C16H25BrN2S — CID 64861306

IUPAC1-[(4-bromothiophen-2-yl)methyl]-5-cyclopropyl-2,2-diethylpiperazine
SMILESCCC1(CC)CNC(C2CC2)CN1Cc1cc(Br)cs1
InChIInChI=1S/C16H25BrN2S/c1-3-16(4-2)11-18-15(12-5-6-12)9-19(16)8-14-7-13(17)10-20-14/h7,10,12,15,18H,3-6,8-9,11H2,1-2H3
InChIKeyDWDGPQPTEGBHTN-UHFFFAOYSA-N
MW357.36 g/mol
LogP4.25
Rot. Bonds5

About 1-[(4-bromothiophen-2-yl)methyl]-5-cyclopropyl-2,2-diethylpiperazine

1-[(4-bromothiophen-2-yl)methyl]-5-cyclopropyl-2,2-diethylpiperazine (PubChem CID 64861306) has the molecular formula C16H25BrN2S and a molecular weight of 357.36 g/mol. Its IUPAC name is 1-[(4-bromothiophen-2-yl)methyl]-5-cyclopropyl-2,2-diethylpiperazine.

Molecular Properties

Compound Name1-[(4-bromothiophen-2-yl)methyl]-5-cyclopropyl-2,2-diethylpiperazine
PubChem CID64861306
Molecular FormulaC16H25BrN2S
Molecular Weight357.36 g/mol
Exact Mass356.09
IUPAC Name1-[(4-bromothiophen-2-yl)methyl]-5-cyclopropyl-2,2-diethylpiperazine
SMILESCCC1(CC)CNC(C2CC2)CN1Cc1cc(Br)cs1
InChIInChI=1S/C16H25BrN2S/c1-3-16(4-2)11-18-15(12-5-6-12)9-19(16)8-14-7-13(17)10-20-14/h7,10,12,15,18H,3-6,8-9,11H2,1-2H3
InChIKeyDWDGPQPTEGBHTN-UHFFFAOYSA-N
XLogP4.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-bromothiophen-2-yl)methyl]-2,2-diethyl-5,5-dimethylpiperazine
CID 64843823
5-cyclopropyl-2,2-diethyl-1-(pyridin-4-ylmethyl)piperazine
CID 64860346
1-[(4-bromothiophen-2-yl)methyl]-2,2,5-triethyl-5-methylpiperazine
CID 64875991
1-[(4-bromothiophen-2-yl)methyl]-3-cyclopropyl-1,4-diazepane
CID 64869938
1-[(4-bromothiophen-2-yl)methyl]-5-cyclopropyl-2-propan-2-ylpiperazine
CID 64861648
1-[(E)-3-chloroprop-2-enyl]-5-cyclopropyl-2,2-diethylpiperazine
CID 114014146
1-[(4-bromothiophen-2-yl)methyl]-2-cyclopropyl-2,5,5-trimethylpiperazine
CID 64841899
3-bromo-1-[(4-bromothiophen-2-yl)methyl]-2,2-dimethylpyrrolidine
CID 130831781
5-cyclopropyl-2,2-diethyl-1-[2-(oxolan-2-yl)ethyl]piperazine
CID 65170489
2,2-diethyl-5-methyl-1-(thiophen-2-ylmethyl)piperazine
CID 64845724
1-[(5-bromo-3-pyridinyl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine
CID 104812598
1-butyl-5-cyclohexyl-2,2-diethylpiperazine
CID 64861362

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromothiophen-2-yl)methyl]-5-cyclopropyl-2,2-diethylpiperazine?
The IUPAC name of 1-[(4-bromothiophen-2-yl)methyl]-5-cyclopropyl-2,2-diethylpiperazine (CID 64861306) is 1-[(4-bromothiophen-2-yl)methyl]-5-cyclopropyl-2,2-diethylpiperazine.
What is the SMILES notation for 1-[(4-bromothiophen-2-yl)methyl]-5-cyclopropyl-2,2-diethylpiperazine?
The canonical SMILES for 1-[(4-bromothiophen-2-yl)methyl]-5-cyclopropyl-2,2-diethylpiperazine is CCC1(CC)CNC(C2CC2)CN1Cc1cc(Br)cs1.
What is the InChIKey of 1-[(4-bromothiophen-2-yl)methyl]-5-cyclopropyl-2,2-diethylpiperazine?
The InChIKey is DWDGPQPTEGBHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2S/c1-3-16(4-2)11-18-15(12-5-6-12)9-19(16)8-14-7-13(17)10-20-14/h7,10,12,15,18H,3-6,8-9,11H2,1-2H3.
What are the key properties of 1-[(4-bromothiophen-2-yl)methyl]-5-cyclopropyl-2,2-diethylpiperazine?
1-[(4-bromothiophen-2-yl)methyl]-5-cyclopropyl-2,2-diethylpiperazine has a molecular weight of 357.36 g/mol, XLogP of 4.25, 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]-5-cyclopropyl-2,2-diethylpiperazine is sourced from PubChem (CID 64861306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).