[4-(4-fluorophenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone

C19H21FN2OS — CID 1225852

IUPAC[4-(4-fluorophenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone
SMILESO=C(c1csc2c1CCCC2)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H21FN2OS/c20-14-5-7-15(8-6-14)21-9-11-22(12-10-21)19(23)17-13-24-18-4-2-1-3-16(17)18/h5-8,13H,1-4,9-12H2
InChIKeyCEYWCNJCKMHIKR-UHFFFAOYSA-N
MW344.45 g/mol
LogP3.73
Rot. Bonds2

About [4-(4-fluorophenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone

[4-(4-fluorophenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone (PubChem CID 1225852) has the molecular formula C19H21FN2OS and a molecular weight of 344.45 g/mol. Its IUPAC name is [4-(4-fluorophenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone
PubChem CID1225852
Molecular FormulaC19H21FN2OS
Molecular Weight344.45 g/mol
Exact Mass344.14
IUPAC Name[4-(4-fluorophenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone
SMILESO=C(c1csc2c1CCCC2)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H21FN2OS/c20-14-5-7-15(8-6-14)21-9-11-22(12-10-21)19(23)17-13-24-18-4-2-1-3-16(17)18/h5-8,13H,1-4,9-12H2
InChIKeyCEYWCNJCKMHIKR-UHFFFAOYSA-N
XLogP3.73
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone?
The IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone (CID 1225852) is [4-(4-fluorophenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone.
What is the SMILES notation for [4-(4-fluorophenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone?
The canonical SMILES for [4-(4-fluorophenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone is O=C(c1csc2c1CCCC2)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of [4-(4-fluorophenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone?
The InChIKey is CEYWCNJCKMHIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2OS/c20-14-5-7-15(8-6-14)21-9-11-22(12-10-21)19(23)17-13-24-18-4-2-1-3-16(17)18/h5-8,13H,1-4,9-12H2.
What are the key properties of [4-(4-fluorophenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone?
[4-(4-fluorophenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone has a molecular weight of 344.45 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone is sourced from PubChem (CID 1225852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).