1-[(4-bromophenyl)sulfanylmethyl]piperazine

C11H15BrN2S — CID 117033897

IUPAC1-[(4-bromophenyl)sulfanylmethyl]piperazine
SMILESBrc1ccc(SCN2CCNCC2)cc1
InChIInChI=1S/C11H15BrN2S/c12-10-1-3-11(4-2-10)15-9-14-7-5-13-6-8-14/h1-4,13H,5-9H2
InChIKeyNLDAADHCYNAFNR-UHFFFAOYSA-N
MW287.23 g/mol
LogP2.40
Rot. Bonds3

About 1-[(4-bromophenyl)sulfanylmethyl]piperazine

1-[(4-bromophenyl)sulfanylmethyl]piperazine (PubChem CID 117033897) has the molecular formula C11H15BrN2S and a molecular weight of 287.23 g/mol. Its IUPAC name is 1-[(4-bromophenyl)sulfanylmethyl]piperazine.

Molecular Properties

Compound Name1-[(4-bromophenyl)sulfanylmethyl]piperazine
PubChem CID117033897
Molecular FormulaC11H15BrN2S
Molecular Weight287.23 g/mol
Exact Mass286.01
IUPAC Name1-[(4-bromophenyl)sulfanylmethyl]piperazine
SMILESBrc1ccc(SCN2CCNCC2)cc1
InChIInChI=1S/C11H15BrN2S/c12-10-1-3-11(4-2-10)15-9-14-7-5-13-6-8-14/h1-4,13H,5-9H2
InChIKeyNLDAADHCYNAFNR-UHFFFAOYSA-N
XLogP2.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-bromophenyl)sulfanyl-1-piperazin-1-ylbutan-1-one
CID 119401413
2-(4-bromophenyl)sulfanyl-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
CID 119449060
4-bromo-N-methyl-N-(piperazin-1-ylmethyl)aniline
CID 115229855
1-[2-(4-bromophenyl)propyl]-1,4-diazepane
CID 82094588
3-(4-bromophenyl)sulfanyl-1-(2-methylpiperazin-1-yl)propan-1-one
CID 119473732
1-[(6-bromo-1-benzothiophen-2-yl)methyl]piperazine
CID 82667803
1-(4-bromophenyl)-N,N-dimethyl-3-piperazin-1-ylpropan-1-amine
CID 116909752
1-(4-methylsulfanylphenyl)-3-piperazin-1-ylpropan-1-amine
CID 116939916
2-[4,7-bis[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]-N-[(1S)-1-(4-bromophenyl)ethyl]acetamide
CID 100946771
1-(4-bromophenyl)piperazine;hydrochloride
CID 14422838
2-methyl-1-(4-methylsulfanylphenyl)-3-piperazin-1-ylpropan-1-ol
CID 82264442
2-(4-bromophenyl)sulfanyl-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 119403732

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)sulfanylmethyl]piperazine?
The IUPAC name of 1-[(4-bromophenyl)sulfanylmethyl]piperazine (CID 117033897) is 1-[(4-bromophenyl)sulfanylmethyl]piperazine.
What is the SMILES notation for 1-[(4-bromophenyl)sulfanylmethyl]piperazine?
The canonical SMILES for 1-[(4-bromophenyl)sulfanylmethyl]piperazine is Brc1ccc(SCN2CCNCC2)cc1.
What is the InChIKey of 1-[(4-bromophenyl)sulfanylmethyl]piperazine?
The InChIKey is NLDAADHCYNAFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2S/c12-10-1-3-11(4-2-10)15-9-14-7-5-13-6-8-14/h1-4,13H,5-9H2.
What are the key properties of 1-[(4-bromophenyl)sulfanylmethyl]piperazine?
1-[(4-bromophenyl)sulfanylmethyl]piperazine has a molecular weight of 287.23 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)sulfanylmethyl]piperazine is sourced from PubChem (CID 117033897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).