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

C15H23BrN2S — CID 64841899

IUPAC1-[(4-bromothiophen-2-yl)methyl]-2-cyclopropyl-2,5,5-trimethylpiperazine
SMILESCC1(C)CN(Cc2cc(Br)cs2)C(C)(C2CC2)CN1
InChIInChI=1S/C15H23BrN2S/c1-14(2)10-18(7-13-6-12(16)8-19-13)15(3,9-17-14)11-4-5-11/h6,8,11,17H,4-5,7,9-10H2,1-3H3
InChIKeyXVSNUXBIRFRSOG-UHFFFAOYSA-N
MW343.33 g/mol
LogP3.86
Rot. Bonds3

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

1-[(4-bromothiophen-2-yl)methyl]-2-cyclopropyl-2,5,5-trimethylpiperazine (PubChem CID 64841899) has the molecular formula C15H23BrN2S and a molecular weight of 343.33 g/mol. Its IUPAC name is 1-[(4-bromothiophen-2-yl)methyl]-2-cyclopropyl-2,5,5-trimethylpiperazine.

Molecular Properties

Compound Name1-[(4-bromothiophen-2-yl)methyl]-2-cyclopropyl-2,5,5-trimethylpiperazine
PubChem CID64841899
Molecular FormulaC15H23BrN2S
Molecular Weight343.33 g/mol
Exact Mass342.08
IUPAC Name1-[(4-bromothiophen-2-yl)methyl]-2-cyclopropyl-2,5,5-trimethylpiperazine
SMILESCC1(C)CN(Cc2cc(Br)cs2)C(C)(C2CC2)CN1
InChIInChI=1S/C15H23BrN2S/c1-14(2)10-18(7-13-6-12(16)8-19-13)15(3,9-17-14)11-4-5-11/h6,8,11,17H,4-5,7,9-10H2,1-3H3
InChIKeyXVSNUXBIRFRSOG-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-[(5-Bromothiophen-2-yl)methyl]piperazine
CID 2455007
1-((4-Bromothiophen-2-yl)methyl)-4-methylpiperazine
CID 677218
Cambridge id 5264572
CID 764145
N-[1-[(4-bromothiophen-2-yl)methyl]-3-methylpiperidin-3-yl]acetamide
CID 134809038
2-(4-Bromothiophen-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine
CID 43362661
2-(5-Bromothiophen-2-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine
CID 60917678
2-(4-Bromothiophen-2-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine
CID 60917876
1-(4-bromothiophen-2-yl)-1-N-cyclopropyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 61629905
N-[(4-bromothiophen-2-yl)methyl]-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62553677
N-[(4-bromothiophen-2-yl)methyl]-N'-ethyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62554162
N-[(4-bromothiophen-2-yl)methyl]-N'-cyclopropyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62554824
N-[(4-bromothiophen-2-yl)methyl]-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62556124

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromothiophen-2-yl)methyl]-2-cyclopropyl-2,5,5-trimethylpiperazine?
The IUPAC name of 1-[(4-bromothiophen-2-yl)methyl]-2-cyclopropyl-2,5,5-trimethylpiperazine (CID 64841899) is 1-[(4-bromothiophen-2-yl)methyl]-2-cyclopropyl-2,5,5-trimethylpiperazine.
What is the SMILES notation for 1-[(4-bromothiophen-2-yl)methyl]-2-cyclopropyl-2,5,5-trimethylpiperazine?
The canonical SMILES for 1-[(4-bromothiophen-2-yl)methyl]-2-cyclopropyl-2,5,5-trimethylpiperazine is CC1(C)CN(Cc2cc(Br)cs2)C(C)(C2CC2)CN1.
What is the InChIKey of 1-[(4-bromothiophen-2-yl)methyl]-2-cyclopropyl-2,5,5-trimethylpiperazine?
The InChIKey is XVSNUXBIRFRSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2S/c1-14(2)10-18(7-13-6-12(16)8-19-13)15(3,9-17-14)11-4-5-11/h6,8,11,17H,4-5,7,9-10H2,1-3H3.
What are the key properties of 1-[(4-bromothiophen-2-yl)methyl]-2-cyclopropyl-2,5,5-trimethylpiperazine?
1-[(4-bromothiophen-2-yl)methyl]-2-cyclopropyl-2,5,5-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-[(4-bromothiophen-2-yl)methyl]-2-cyclopropyl-2,5,5-trimethylpiperazine is sourced from PubChem (CID 64841899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).