1-(1-benzothiophen-2-ylmethyl)-4-(2-fluorophenyl)piperazine

C19H19FN2S — CID 10042062

IUPAC1-(1-benzothiophen-2-ylmethyl)-4-(2-fluorophenyl)piperazine
SMILESFc1ccccc1N1CCN(Cc2cc3ccccc3s2)CC1
InChIInChI=1S/C19H19FN2S/c20-17-6-2-3-7-18(17)22-11-9-21(10-12-22)14-16-13-15-5-1-4-8-19(15)23-16/h1-8,13H,9-12,14H2
InChIKeyWMEKZKMHLFRNQA-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.36
Rot. Bonds3

About 1-(1-benzothiophen-2-ylmethyl)-4-(2-fluorophenyl)piperazine

1-(1-benzothiophen-2-ylmethyl)-4-(2-fluorophenyl)piperazine (PubChem CID 10042062) has the molecular formula C19H19FN2S and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-ylmethyl)-4-(2-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-(1-benzothiophen-2-ylmethyl)-4-(2-fluorophenyl)piperazine
PubChem CID10042062
Molecular FormulaC19H19FN2S
Molecular Weight326.44 g/mol
Exact Mass326.13
IUPAC Name1-(1-benzothiophen-2-ylmethyl)-4-(2-fluorophenyl)piperazine
SMILESFc1ccccc1N1CCN(Cc2cc3ccccc3s2)CC1
InChIInChI=1S/C19H19FN2S/c20-17-6-2-3-7-18(17)22-11-9-21(10-12-22)14-16-13-15-5-1-4-8-19(15)23-16/h1-8,13H,9-12,14H2
InChIKeyWMEKZKMHLFRNQA-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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-ylmethyl)-4-(2-fluorophenyl)piperazine?
The IUPAC name of 1-(1-benzothiophen-2-ylmethyl)-4-(2-fluorophenyl)piperazine (CID 10042062) is 1-(1-benzothiophen-2-ylmethyl)-4-(2-fluorophenyl)piperazine.
What is the SMILES notation for 1-(1-benzothiophen-2-ylmethyl)-4-(2-fluorophenyl)piperazine?
The canonical SMILES for 1-(1-benzothiophen-2-ylmethyl)-4-(2-fluorophenyl)piperazine is Fc1ccccc1N1CCN(Cc2cc3ccccc3s2)CC1.
What is the InChIKey of 1-(1-benzothiophen-2-ylmethyl)-4-(2-fluorophenyl)piperazine?
The InChIKey is WMEKZKMHLFRNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2S/c20-17-6-2-3-7-18(17)22-11-9-21(10-12-22)14-16-13-15-5-1-4-8-19(15)23-16/h1-8,13H,9-12,14H2.
What are the key properties of 1-(1-benzothiophen-2-ylmethyl)-4-(2-fluorophenyl)piperazine?
1-(1-benzothiophen-2-ylmethyl)-4-(2-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-2-ylmethyl)-4-(2-fluorophenyl)piperazine is sourced from PubChem (CID 10042062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).