1-[(5-bromothiophen-2-yl)-(4-propan-2-ylphenyl)methyl]piperazine

C18H23BrN2S — CID 5196811

IUPAC1-[(5-bromothiophen-2-yl)-(4-propan-2-ylphenyl)methyl]piperazine
SMILESCC(C)c1ccc(C(c2ccc(Br)s2)N2CCNCC2)cc1
InChIInChI=1S/C18H23BrN2S/c1-13(2)14-3-5-15(6-4-14)18(16-7-8-17(19)22-16)21-11-9-20-10-12-21/h3-8,13,18,20H,9-12H2,1-2H3
InChIKeyYOGGLYDGSIEOTE-UHFFFAOYSA-N
MW379.37 g/mol
LogP4.63
Rot. Bonds4

About 1-[(5-bromothiophen-2-yl)-(4-propan-2-ylphenyl)methyl]piperazine

1-[(5-bromothiophen-2-yl)-(4-propan-2-ylphenyl)methyl]piperazine (PubChem CID 5196811) has the molecular formula C18H23BrN2S and a molecular weight of 379.37 g/mol. Its IUPAC name is 1-[(5-bromothiophen-2-yl)-(4-propan-2-ylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(5-bromothiophen-2-yl)-(4-propan-2-ylphenyl)methyl]piperazine
PubChem CID5196811
Molecular FormulaC18H23BrN2S
Molecular Weight379.37 g/mol
Exact Mass378.08
IUPAC Name1-[(5-bromothiophen-2-yl)-(4-propan-2-ylphenyl)methyl]piperazine
SMILESCC(C)c1ccc(C(c2ccc(Br)s2)N2CCNCC2)cc1
InChIInChI=1S/C18H23BrN2S/c1-13(2)14-3-5-15(6-4-14)18(16-7-8-17(19)22-16)21-11-9-20-10-12-21/h3-8,13,18,20H,9-12H2,1-2H3
InChIKeyYOGGLYDGSIEOTE-UHFFFAOYSA-N
XLogP4.63
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-bromophenyl)-(5-bromothiophen-2-yl)methyl]-1,4-diazepane
CID 3695697
1-[(5-chlorothiophen-2-yl)-(4-propan-2-ylphenyl)methyl]-1,4-diazepane
CID 3732982
1-[(5-bromothiophen-2-yl)-(4-ethoxyphenyl)methyl]-1,4-diazepane
CID 3767577
1-[(3-bromophenyl)-(5-bromothiophen-2-yl)methyl]piperazine
CID 3611704
1-[(1S)-1-(5-bromothiophen-2-yl)ethyl]piperazine;dihydrochloride
CID 171276089
1-[(S)-(5-bromothiophen-2-yl)-thiophen-2-ylmethyl]piperazine
CID 171276105
1-[(R)-(5-chlorothiophen-2-yl)-(4-fluorophenyl)methyl]piperazine
CID 171178470
1-[(5-bromothiophen-2-yl)-thiophen-2-ylmethyl]-1,4-diazepane
CID 3668606
1-[(5-chlorothiophen-2-yl)-(4-ethylphenyl)methyl]piperazine
CID 4015812
1-[(4-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]piperazine
CID 3987731
1-[(1S)-1-(5-bromothiophen-2-yl)-2,2-difluoroethyl]piperazine
CID 131553593
1-[(5-bromo-2-ethoxyphenyl)-(5-bromothiophen-2-yl)methyl]piperazine
CID 4689029

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromothiophen-2-yl)-(4-propan-2-ylphenyl)methyl]piperazine?
The IUPAC name of 1-[(5-bromothiophen-2-yl)-(4-propan-2-ylphenyl)methyl]piperazine (CID 5196811) is 1-[(5-bromothiophen-2-yl)-(4-propan-2-ylphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(5-bromothiophen-2-yl)-(4-propan-2-ylphenyl)methyl]piperazine?
The canonical SMILES for 1-[(5-bromothiophen-2-yl)-(4-propan-2-ylphenyl)methyl]piperazine is CC(C)c1ccc(C(c2ccc(Br)s2)N2CCNCC2)cc1.
What is the InChIKey of 1-[(5-bromothiophen-2-yl)-(4-propan-2-ylphenyl)methyl]piperazine?
The InChIKey is YOGGLYDGSIEOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN2S/c1-13(2)14-3-5-15(6-4-14)18(16-7-8-17(19)22-16)21-11-9-20-10-12-21/h3-8,13,18,20H,9-12H2,1-2H3.
What are the key properties of 1-[(5-bromothiophen-2-yl)-(4-propan-2-ylphenyl)methyl]piperazine?
1-[(5-bromothiophen-2-yl)-(4-propan-2-ylphenyl)methyl]piperazine has a molecular weight of 379.37 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromothiophen-2-yl)-(4-propan-2-ylphenyl)methyl]piperazine is sourced from PubChem (CID 5196811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).