1-(1-benzothiophen-3-ylmethyl)-4-(4-fluorophenyl)piperazine

C19H19FN2S — CID 11290336

IUPAC1-(1-benzothiophen-3-ylmethyl)-4-(4-fluorophenyl)piperazine
SMILESFc1ccc(N2CCN(Cc3csc4ccccc34)CC2)cc1
InChIInChI=1S/C19H19FN2S/c20-16-5-7-17(8-6-16)22-11-9-21(10-12-22)13-15-14-23-19-4-2-1-3-18(15)19/h1-8,14H,9-13H2
InChIKeyGHSFNDJIYNJSKJ-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.36
Rot. Bonds3

About 1-(1-benzothiophen-3-ylmethyl)-4-(4-fluorophenyl)piperazine

1-(1-benzothiophen-3-ylmethyl)-4-(4-fluorophenyl)piperazine (PubChem CID 11290336) has the molecular formula C19H19FN2S and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-ylmethyl)-4-(4-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-ylmethyl)-4-(4-fluorophenyl)piperazine
PubChem CID11290336
Molecular FormulaC19H19FN2S
Molecular Weight326.44 g/mol
Exact Mass326.13
IUPAC Name1-(1-benzothiophen-3-ylmethyl)-4-(4-fluorophenyl)piperazine
SMILESFc1ccc(N2CCN(Cc3csc4ccccc34)CC2)cc1
InChIInChI=1S/C19H19FN2S/c20-16-5-7-17(8-6-16)22-11-9-21(10-12-22)13-15-14-23-19-4-2-1-3-18(15)19/h1-8,14H,9-13H2
InChIKeyGHSFNDJIYNJSKJ-UHFFFAOYSA-N
XLogP4.36
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(1-benzothiophen-3-ylmethyl)-4-(4-fluorophenyl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(Benzo[b]thiophen-7-yl)piperazine
CID 11988373
4-(1-benzothiophen-2-yl)-2-methyl-7-piperidin-1-yl-3,4-dihydro-1H-isoquinoline
CID 11588595
N-(1-benzothiophen-5-yl)-N-benzylpiperidin-4-amine
CID 44467960
1-(4-Fluorophenyl)-4-[(5-methylthiophen-3-yl)methyl]piperazine
CID 16019107
1-(5-Fluoro-1-benzothiophen-3-yl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 132991428
4-(1-benzothiophen-3-ylmethyl)-N-phenylpiperazine-1-carboxamide
CID 11588358
1-(Benzo[b]thiophen-4-yl)piperazine
CID 21073187
3-[(4-Thiophen-3-ylphenyl)methyl]-8-[4-(trifluoromethyl)phenyl]-3,8-diazabicyclo[3.2.1]octane
CID 134795584
1-(4-Fluorophenyl)-4-(thiophen-3-ylmethyl)piperazine
CID 6456168
1-(2-Fluorophenyl)-4-[(5-methylthiophen-3-yl)methyl]piperazine
CID 16019109
1-[(4-Ethyl-5-methylthiophen-3-yl)methyl]-4-(4-fluorophenyl)piperazine
CID 16019115
1-[(4-Ethyl-5-methylthiophen-3-yl)methyl]-4-(2-fluorophenyl)piperazine
CID 16019117

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-ylmethyl)-4-(4-fluorophenyl)piperazine?
The IUPAC name of 1-(1-benzothiophen-3-ylmethyl)-4-(4-fluorophenyl)piperazine (CID 11290336) is 1-(1-benzothiophen-3-ylmethyl)-4-(4-fluorophenyl)piperazine.
What is the SMILES notation for 1-(1-benzothiophen-3-ylmethyl)-4-(4-fluorophenyl)piperazine?
The canonical SMILES for 1-(1-benzothiophen-3-ylmethyl)-4-(4-fluorophenyl)piperazine is Fc1ccc(N2CCN(Cc3csc4ccccc34)CC2)cc1.
What is the InChIKey of 1-(1-benzothiophen-3-ylmethyl)-4-(4-fluorophenyl)piperazine?
The InChIKey is GHSFNDJIYNJSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2S/c20-16-5-7-17(8-6-16)22-11-9-21(10-12-22)13-15-14-23-19-4-2-1-3-18(15)19/h1-8,14H,9-13H2.
What are the key properties of 1-(1-benzothiophen-3-ylmethyl)-4-(4-fluorophenyl)piperazine?
1-(1-benzothiophen-3-ylmethyl)-4-(4-fluorophenyl)piperazine has a molecular weight of 326.44 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-ylmethyl)-4-(4-fluorophenyl)piperazine is sourced from PubChem (CID 11290336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).