1-[(5-bromothiophen-2-yl)-cyclopropylmethyl]piperazine

C12H17BrN2S — CID 82308445

IUPAC1-[(5-bromothiophen-2-yl)-cyclopropylmethyl]piperazine
SMILESBrc1ccc(C(C2CC2)N2CCNCC2)s1
InChIInChI=1S/C12H17BrN2S/c13-11-4-3-10(16-11)12(9-1-2-9)15-7-5-14-6-8-15/h3-4,9,12,14H,1-2,5-8H2
InChIKeyKVSYUTHPAFOMGE-UHFFFAOYSA-N
MW301.25 g/mol
LogP2.87
Rot. Bonds3

About 1-[(5-bromothiophen-2-yl)-cyclopropylmethyl]piperazine

1-[(5-bromothiophen-2-yl)-cyclopropylmethyl]piperazine (PubChem CID 82308445) has the molecular formula C12H17BrN2S and a molecular weight of 301.25 g/mol. Its IUPAC name is 1-[(5-bromothiophen-2-yl)-cyclopropylmethyl]piperazine.

Molecular Properties

Compound Name1-[(5-bromothiophen-2-yl)-cyclopropylmethyl]piperazine
PubChem CID82308445
Molecular FormulaC12H17BrN2S
Molecular Weight301.25 g/mol
Exact Mass300.03
IUPAC Name1-[(5-bromothiophen-2-yl)-cyclopropylmethyl]piperazine
SMILESBrc1ccc(C(C2CC2)N2CCNCC2)s1
InChIInChI=1S/C12H17BrN2S/c13-11-4-3-10(16-11)12(9-1-2-9)15-7-5-14-6-8-15/h3-4,9,12,14H,1-2,5-8H2
InChIKeyKVSYUTHPAFOMGE-UHFFFAOYSA-N
XLogP2.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.25
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(S)-cyclopropyl-(5-methylthiophen-2-yl)methyl]piperazine;dihydrochloride
CID 171275666
1-[(1S)-1-(5-bromothiophen-2-yl)-2,2-difluoroethyl]piperazine
CID 131553593
1-[(R)-cyclopentyl-(5-methylthiophen-2-yl)methyl]piperazine;dihydrochloride
CID 171288298
1-[(1S)-1-(5-bromothiophen-2-yl)ethyl]piperazine;dihydrochloride
CID 171276089
1-[(S)-cyclohexyl-(5-ethylthiophen-2-yl)methyl]piperazine
CID 171281355
1-[(S)-(5-bromothiophen-2-yl)-thiophen-2-ylmethyl]piperazine
CID 171276105
1-[(S)-cyclopentyl-(4,5-dibromothiophen-2-yl)methyl]piperazine;dihydrochloride
CID 171283722
1-[(S)-(5-bromo-4-methylthiophen-2-yl)-(oxan-4-yl)methyl]piperazine
CID 171276314
1-[(5-bromothiophen-2-yl)-(4-propan-2-ylphenyl)methyl]piperazine
CID 5196811
1-[(5-bromothiophen-2-yl)-thiophen-2-ylmethyl]-1,4-diazepane
CID 3668606
1-[(3-bromophenyl)-(5-bromothiophen-2-yl)methyl]piperazine
CID 3611704
1-[(4-bromophenyl)-(5-bromothiophen-2-yl)methyl]-1,4-diazepane
CID 3695697

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromothiophen-2-yl)-cyclopropylmethyl]piperazine?
The IUPAC name of 1-[(5-bromothiophen-2-yl)-cyclopropylmethyl]piperazine (CID 82308445) is 1-[(5-bromothiophen-2-yl)-cyclopropylmethyl]piperazine.
What is the SMILES notation for 1-[(5-bromothiophen-2-yl)-cyclopropylmethyl]piperazine?
The canonical SMILES for 1-[(5-bromothiophen-2-yl)-cyclopropylmethyl]piperazine is Brc1ccc(C(C2CC2)N2CCNCC2)s1.
What is the InChIKey of 1-[(5-bromothiophen-2-yl)-cyclopropylmethyl]piperazine?
The InChIKey is KVSYUTHPAFOMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2S/c13-11-4-3-10(16-11)12(9-1-2-9)15-7-5-14-6-8-15/h3-4,9,12,14H,1-2,5-8H2.
What are the key properties of 1-[(5-bromothiophen-2-yl)-cyclopropylmethyl]piperazine?
1-[(5-bromothiophen-2-yl)-cyclopropylmethyl]piperazine has a molecular weight of 301.25 g/mol, XLogP of 2.87, 3 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)-cyclopropylmethyl]piperazine is sourced from PubChem (CID 82308445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).