1-[1-benzothiophen-3-yl-(2-bromophenyl)methyl]piperazine

C19H19BrN2S — CID 3947459

IUPAC1-[1-benzothiophen-3-yl-(2-bromophenyl)methyl]piperazine
SMILESBrc1ccccc1C(c1csc2ccccc12)N1CCNCC1
InChIInChI=1S/C19H19BrN2S/c20-17-7-3-1-6-15(17)19(22-11-9-21-10-12-22)16-13-23-18-8-4-2-5-14(16)18/h1-8,13,19,21H,9-12H2
InChIKeyBGVXTEFBXBWJQC-UHFFFAOYSA-N
MW387.35 g/mol
LogP4.66
Rot. Bonds3

About 1-[1-benzothiophen-3-yl-(2-bromophenyl)methyl]piperazine

1-[1-benzothiophen-3-yl-(2-bromophenyl)methyl]piperazine (PubChem CID 3947459) has the molecular formula C19H19BrN2S and a molecular weight of 387.35 g/mol. Its IUPAC name is 1-[1-benzothiophen-3-yl-(2-bromophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[1-benzothiophen-3-yl-(2-bromophenyl)methyl]piperazine
PubChem CID3947459
Molecular FormulaC19H19BrN2S
Molecular Weight387.35 g/mol
Exact Mass386.05
IUPAC Name1-[1-benzothiophen-3-yl-(2-bromophenyl)methyl]piperazine
SMILESBrc1ccccc1C(c1csc2ccccc12)N1CCNCC1
InChIInChI=1S/C19H19BrN2S/c20-17-7-3-1-6-15(17)19(22-11-9-21-10-12-22)16-13-23-18-8-4-2-5-14(16)18/h1-8,13,19,21H,9-12H2
InChIKeyBGVXTEFBXBWJQC-UHFFFAOYSA-N
XLogP4.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.35
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-benzothiophen-3-yl-(4-bromophenyl)methyl]piperazine
CID 3286805
1-[bis(2-bromophenyl)methyl]-1,4-diazepane
CID 4295323
1-[(1R)-1-(1-benzothiophen-3-yl)-2,2-dimethylpropyl]piperazine
CID 171290243
1-[(2-bromophenyl)-(2-methylphenyl)methyl]piperazine
CID 3900303
1-[1-benzothiophen-3-yl-(3-methyl-4-pyridinyl)methyl]piperazine
CID 3621959
1-[1-benzothiophen-3-yl-(2,4,5-trimethoxyphenyl)methyl]-1,4-diazepane
CID 4669160
1-[1-benzothiophen-3-yl-(5-fluoro-2-methoxyphenyl)methyl]piperazine
CID 5193096
1-[(1S)-1-(1-benzothiophen-3-yl)-2-fluoroethyl]piperazine
CID 171290219
1-[(1S)-1-(1-benzothiophen-3-yl)-2-fluoroethyl]piperazine;dihydrochloride
CID 171290220
1-[1-benzothiophen-3-yl(pyridin-4-yl)methyl]-1,4-diazepane
CID 5113669
2-(1-benzothiophen-3-yl)-2-piperazin-1-ylacetic acid
CID 62699815
1-[1-benzothiophen-3-yl-(3,4,5-trimethoxyphenyl)methyl]piperazine
CID 3935923

Frequently Asked Questions

What is the IUPAC name of 1-[1-benzothiophen-3-yl-(2-bromophenyl)methyl]piperazine?
The IUPAC name of 1-[1-benzothiophen-3-yl-(2-bromophenyl)methyl]piperazine (CID 3947459) is 1-[1-benzothiophen-3-yl-(2-bromophenyl)methyl]piperazine.
What is the SMILES notation for 1-[1-benzothiophen-3-yl-(2-bromophenyl)methyl]piperazine?
The canonical SMILES for 1-[1-benzothiophen-3-yl-(2-bromophenyl)methyl]piperazine is Brc1ccccc1C(c1csc2ccccc12)N1CCNCC1.
What is the InChIKey of 1-[1-benzothiophen-3-yl-(2-bromophenyl)methyl]piperazine?
The InChIKey is BGVXTEFBXBWJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2S/c20-17-7-3-1-6-15(17)19(22-11-9-21-10-12-22)16-13-23-18-8-4-2-5-14(16)18/h1-8,13,19,21H,9-12H2.
What are the key properties of 1-[1-benzothiophen-3-yl-(2-bromophenyl)methyl]piperazine?
1-[1-benzothiophen-3-yl-(2-bromophenyl)methyl]piperazine has a molecular weight of 387.35 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-benzothiophen-3-yl-(2-bromophenyl)methyl]piperazine is sourced from PubChem (CID 3947459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).