1-[(3-bromothiophen-2-yl)methyl]-5-tert-butyl-2-(2-methylpropyl)piperazine

C17H29BrN2S — CID 64841646

IUPAC1-[(3-bromothiophen-2-yl)methyl]-5-tert-butyl-2-(2-methylpropyl)piperazine
SMILESCC(C)CC1CNC(C(C)(C)C)CN1Cc1sccc1Br
InChIInChI=1S/C17H29BrN2S/c1-12(2)8-13-9-19-16(17(3,4)5)11-20(13)10-15-14(18)6-7-21-15/h6-7,12-13,16,19H,8-11H2,1-5H3
InChIKeyOQQADGNGUDIDRB-UHFFFAOYSA-N
MW373.40 g/mol
LogP4.75
Rot. Bonds4

About 1-[(3-bromothiophen-2-yl)methyl]-5-tert-butyl-2-(2-methylpropyl)piperazine

1-[(3-bromothiophen-2-yl)methyl]-5-tert-butyl-2-(2-methylpropyl)piperazine (PubChem CID 64841646) has the molecular formula C17H29BrN2S and a molecular weight of 373.40 g/mol. Its IUPAC name is 1-[(3-bromothiophen-2-yl)methyl]-5-tert-butyl-2-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-[(3-bromothiophen-2-yl)methyl]-5-tert-butyl-2-(2-methylpropyl)piperazine
PubChem CID64841646
Molecular FormulaC17H29BrN2S
Molecular Weight373.40 g/mol
Exact Mass372.12
IUPAC Name1-[(3-bromothiophen-2-yl)methyl]-5-tert-butyl-2-(2-methylpropyl)piperazine
SMILESCC(C)CC1CNC(C(C)(C)C)CN1Cc1sccc1Br
InChIInChI=1S/C17H29BrN2S/c1-12(2)8-13-9-19-16(17(3,4)5)11-20(13)10-15-14(18)6-7-21-15/h6-7,12-13,16,19H,8-11H2,1-5H3
InChIKeyOQQADGNGUDIDRB-UHFFFAOYSA-N
XLogP4.75
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.40
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-bromothiophen-2-yl)methyl]-5-tert-butyl-2-propylpiperazine
CID 64840856
1-[(3-bromothiophen-2-yl)methyl]-5-butan-2-yl-2-propylpiperazine
CID 64848806
1-[(3-bromothiophen-2-yl)methyl]-5-ethyl-2-methylpiperazine
CID 64842685
2-benzyl-1-[(3-bromothiophen-2-yl)methyl]-5-methylpiperazine
CID 64844392
5-tert-butyl-2-(2-methylpropyl)-1-(3-methylsulfonylpropyl)piperazine
CID 64840877
1-[(3-bromothiophen-2-yl)methyl]-2,5-di(butan-2-yl)piperazine
CID 64848042
1-[(4-bromophenyl)methyl]-5-methyl-2-(2-methylpropyl)piperazine
CID 64845583
1-[(3-bromothiophen-2-yl)methyl]-2-tert-butyl-5,5-diethylpiperazine
CID 64859676
1-[(3-bromothiophen-2-yl)methyl]-5-butan-2-yl-2-cyclopropylpiperazine
CID 64848627
N-[[1-[(3-bromothiophen-2-yl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-1-amine
CID 62579641
1-[(3-bromothiophen-2-yl)methyl]-2-propylpiperazine
CID 64832145
1-[(3-bromo-4-fluorophenyl)methyl]-5-tert-butyl-2-ethylpiperazine
CID 64841431

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromothiophen-2-yl)methyl]-5-tert-butyl-2-(2-methylpropyl)piperazine?
The IUPAC name of 1-[(3-bromothiophen-2-yl)methyl]-5-tert-butyl-2-(2-methylpropyl)piperazine (CID 64841646) is 1-[(3-bromothiophen-2-yl)methyl]-5-tert-butyl-2-(2-methylpropyl)piperazine.
What is the SMILES notation for 1-[(3-bromothiophen-2-yl)methyl]-5-tert-butyl-2-(2-methylpropyl)piperazine?
The canonical SMILES for 1-[(3-bromothiophen-2-yl)methyl]-5-tert-butyl-2-(2-methylpropyl)piperazine is CC(C)CC1CNC(C(C)(C)C)CN1Cc1sccc1Br.
What is the InChIKey of 1-[(3-bromothiophen-2-yl)methyl]-5-tert-butyl-2-(2-methylpropyl)piperazine?
The InChIKey is OQQADGNGUDIDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29BrN2S/c1-12(2)8-13-9-19-16(17(3,4)5)11-20(13)10-15-14(18)6-7-21-15/h6-7,12-13,16,19H,8-11H2,1-5H3.
What are the key properties of 1-[(3-bromothiophen-2-yl)methyl]-5-tert-butyl-2-(2-methylpropyl)piperazine?
1-[(3-bromothiophen-2-yl)methyl]-5-tert-butyl-2-(2-methylpropyl)piperazine has a molecular weight of 373.40 g/mol, XLogP of 4.75, 4 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-tert-butyl-2-(2-methylpropyl)piperazine is sourced from PubChem (CID 64841646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).