1-(4-fluorophenyl)-4-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)piperazine

C19H23FN2S — CID 22554318

IUPAC1-(4-fluorophenyl)-4-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)piperazine
SMILESFc1ccc(N2CCN(Cc3csc4c3CCCC4)CC2)cc1
InChIInChI=1S/C19H23FN2S/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/h5-8,14H,1-4,9-13H2
InChIKeyCKDJXTXYBLNKGA-UHFFFAOYSA-N
MW330.47 g/mol
LogP4.09
Rot. Bonds3

About 1-(4-fluorophenyl)-4-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)piperazine

1-(4-fluorophenyl)-4-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)piperazine (PubChem CID 22554318) has the molecular formula C19H23FN2S and a molecular weight of 330.47 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)piperazine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)piperazine
PubChem CID22554318
Molecular FormulaC19H23FN2S
Molecular Weight330.47 g/mol
Exact Mass330.16
IUPAC Name1-(4-fluorophenyl)-4-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)piperazine
SMILESFc1ccc(N2CCN(Cc3csc4c3CCCC4)CC2)cc1
InChIInChI=1S/C19H23FN2S/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/h5-8,14H,1-4,9-13H2
InChIKeyCKDJXTXYBLNKGA-UHFFFAOYSA-N
XLogP4.09
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)piperazine?
The IUPAC name of 1-(4-fluorophenyl)-4-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)piperazine (CID 22554318) is 1-(4-fluorophenyl)-4-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)piperazine.
What is the SMILES notation for 1-(4-fluorophenyl)-4-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)piperazine?
The canonical SMILES for 1-(4-fluorophenyl)-4-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)piperazine is Fc1ccc(N2CCN(Cc3csc4c3CCCC4)CC2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)piperazine?
The InChIKey is CKDJXTXYBLNKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2S/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/h5-8,14H,1-4,9-13H2.
What are the key properties of 1-(4-fluorophenyl)-4-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)piperazine?
1-(4-fluorophenyl)-4-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)piperazine has a molecular weight of 330.47 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)piperazine is sourced from PubChem (CID 22554318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).