1-[(3-bromothiophen-2-yl)methyl]-5-cyclopropyl-2,2,5-trimethylpiperazine

C15H23BrN2S — CID 64878274

IUPAC1-[(3-bromothiophen-2-yl)methyl]-5-cyclopropyl-2,2,5-trimethylpiperazine
SMILESCC1(C2CC2)CN(Cc2sccc2Br)C(C)(C)CN1
InChIInChI=1S/C15H23BrN2S/c1-14(2)9-17-15(3,11-4-5-11)10-18(14)8-13-12(16)6-7-19-13/h6-7,11,17H,4-5,8-10H2,1-3H3
InChIKeySORXTMHKXLMOPU-UHFFFAOYSA-N
MW343.33 g/mol
LogP3.86
Rot. Bonds3

About 1-[(3-bromothiophen-2-yl)methyl]-5-cyclopropyl-2,2,5-trimethylpiperazine

1-[(3-bromothiophen-2-yl)methyl]-5-cyclopropyl-2,2,5-trimethylpiperazine (PubChem CID 64878274) has the molecular formula C15H23BrN2S and a molecular weight of 343.33 g/mol. Its IUPAC name is 1-[(3-bromothiophen-2-yl)methyl]-5-cyclopropyl-2,2,5-trimethylpiperazine.

Molecular Properties

Compound Name1-[(3-bromothiophen-2-yl)methyl]-5-cyclopropyl-2,2,5-trimethylpiperazine
PubChem CID64878274
Molecular FormulaC15H23BrN2S
Molecular Weight343.33 g/mol
Exact Mass342.08
IUPAC Name1-[(3-bromothiophen-2-yl)methyl]-5-cyclopropyl-2,2,5-trimethylpiperazine
SMILESCC1(C2CC2)CN(Cc2sccc2Br)C(C)(C)CN1
InChIInChI=1S/C15H23BrN2S/c1-14(2)9-17-15(3,11-4-5-11)10-18(14)8-13-12(16)6-7-19-13/h6-7,11,17H,4-5,8-10H2,1-3H3
InChIKeySORXTMHKXLMOPU-UHFFFAOYSA-N
XLogP3.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-chlorophenyl)methyl]-5-cyclopropyl-2,2,5-trimethylpiperazine
CID 64878272
5-cyclopropyl-1-[(4-fluorophenyl)methyl]-2,2,5-trimethylpiperazine
CID 64878267
1-[(3-bromothiophen-2-yl)methyl]-2,5-dicyclopropyl-2-methylpiperazine
CID 64860355
5-cyclopropyl-1-[(3,4-dimethylphenyl)methyl]-2,2,5-trimethylpiperazine
CID 64876930
5-cyclopropyl-1-[(4-fluoro-2-methylphenyl)methyl]-2,2,5-trimethylpiperazine
CID 114349605
5-cyclopropyl-2-ethyl-2,5-dimethyl-1-(thiophen-2-ylmethyl)piperazine
CID 64876360
1-[(3-bromothiophen-2-yl)methyl]-2-tert-butyl-5,5-diethylpiperazine
CID 64859676
1-[(3-bromothiophen-2-yl)methyl]-5,5-dimethyl-2-phenylpiperazine
CID 64839742
1-[(4-bromophenyl)methyl]-5-cyclopropyl-2-ethyl-2,5-dimethylpiperazine
CID 64875981
1-[(3-bromothiophen-2-yl)methyl]-5-ethyl-5-methyl-2-propylpiperazine
CID 64850024
1-[(3-bromothiophen-2-yl)methyl]-5-ethyl-2,5-dimethylpiperazine
CID 64848467
1-[(3-bromothiophen-2-yl)methyl]-N,N-dimethylpyrrolidin-3-amine
CID 55219166

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromothiophen-2-yl)methyl]-5-cyclopropyl-2,2,5-trimethylpiperazine?
The IUPAC name of 1-[(3-bromothiophen-2-yl)methyl]-5-cyclopropyl-2,2,5-trimethylpiperazine (CID 64878274) is 1-[(3-bromothiophen-2-yl)methyl]-5-cyclopropyl-2,2,5-trimethylpiperazine.
What is the SMILES notation for 1-[(3-bromothiophen-2-yl)methyl]-5-cyclopropyl-2,2,5-trimethylpiperazine?
The canonical SMILES for 1-[(3-bromothiophen-2-yl)methyl]-5-cyclopropyl-2,2,5-trimethylpiperazine is CC1(C2CC2)CN(Cc2sccc2Br)C(C)(C)CN1.
What is the InChIKey of 1-[(3-bromothiophen-2-yl)methyl]-5-cyclopropyl-2,2,5-trimethylpiperazine?
The InChIKey is SORXTMHKXLMOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2S/c1-14(2)9-17-15(3,11-4-5-11)10-18(14)8-13-12(16)6-7-19-13/h6-7,11,17H,4-5,8-10H2,1-3H3.
What are the key properties of 1-[(3-bromothiophen-2-yl)methyl]-5-cyclopropyl-2,2,5-trimethylpiperazine?
1-[(3-bromothiophen-2-yl)methyl]-5-cyclopropyl-2,2,5-trimethylpiperazine has a molecular weight of 343.33 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromothiophen-2-yl)methyl]-5-cyclopropyl-2,2,5-trimethylpiperazine is sourced from PubChem (CID 64878274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).