1-(4-fluorophenyl)-1-piperazin-1-yl-4-thieno[3,2-c]pyridin-4-ylbutan-1-ol

C21H24FN3OS — CID 57239630

IUPAC1-(4-fluorophenyl)-1-piperazin-1-yl-4-thieno[3,2-c]pyridin-4-ylbutan-1-ol
SMILESOC(CCCc1nccc2sccc12)(c1ccc(F)cc1)N1CCNCC1
InChIInChI=1S/C21H24FN3OS/c22-17-5-3-16(4-6-17)21(26,25-13-11-23-12-14-25)9-1-2-19-18-8-15-27-20(18)7-10-24-19/h3-8,10,15,23,26H,1-2,9,11-14H2
InChIKeySWAVTXUELFTEED-UHFFFAOYSA-N
MW385.51 g/mol
LogP3.51
Rot. Bonds6

About 1-(4-fluorophenyl)-1-piperazin-1-yl-4-thieno[3,2-c]pyridin-4-ylbutan-1-ol

1-(4-fluorophenyl)-1-piperazin-1-yl-4-thieno[3,2-c]pyridin-4-ylbutan-1-ol (PubChem CID 57239630) has the molecular formula C21H24FN3OS and a molecular weight of 385.51 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-1-piperazin-1-yl-4-thieno[3,2-c]pyridin-4-ylbutan-1-ol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-1-piperazin-1-yl-4-thieno[3,2-c]pyridin-4-ylbutan-1-ol
PubChem CID57239630
Molecular FormulaC21H24FN3OS
Molecular Weight385.51 g/mol
Exact Mass385.16
IUPAC Name1-(4-fluorophenyl)-1-piperazin-1-yl-4-thieno[3,2-c]pyridin-4-ylbutan-1-ol
SMILESOC(CCCc1nccc2sccc12)(c1ccc(F)cc1)N1CCNCC1
InChIInChI=1S/C21H24FN3OS/c22-17-5-3-16(4-6-17)21(26,25-13-11-23-12-14-25)9-1-2-19-18-8-15-27-20(18)7-10-24-19/h3-8,10,15,23,26H,1-2,9,11-14H2
InChIKeySWAVTXUELFTEED-UHFFFAOYSA-N
XLogP3.51
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-1-piperazin-1-yl-4-thieno[3,2-c]pyridin-4-ylbutan-1-ol?
The IUPAC name of 1-(4-fluorophenyl)-1-piperazin-1-yl-4-thieno[3,2-c]pyridin-4-ylbutan-1-ol (CID 57239630) is 1-(4-fluorophenyl)-1-piperazin-1-yl-4-thieno[3,2-c]pyridin-4-ylbutan-1-ol.
What is the SMILES notation for 1-(4-fluorophenyl)-1-piperazin-1-yl-4-thieno[3,2-c]pyridin-4-ylbutan-1-ol?
The canonical SMILES for 1-(4-fluorophenyl)-1-piperazin-1-yl-4-thieno[3,2-c]pyridin-4-ylbutan-1-ol is OC(CCCc1nccc2sccc12)(c1ccc(F)cc1)N1CCNCC1.
What is the InChIKey of 1-(4-fluorophenyl)-1-piperazin-1-yl-4-thieno[3,2-c]pyridin-4-ylbutan-1-ol?
The InChIKey is SWAVTXUELFTEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3OS/c22-17-5-3-16(4-6-17)21(26,25-13-11-23-12-14-25)9-1-2-19-18-8-15-27-20(18)7-10-24-19/h3-8,10,15,23,26H,1-2,9,11-14H2.
What are the key properties of 1-(4-fluorophenyl)-1-piperazin-1-yl-4-thieno[3,2-c]pyridin-4-ylbutan-1-ol?
1-(4-fluorophenyl)-1-piperazin-1-yl-4-thieno[3,2-c]pyridin-4-ylbutan-1-ol has a molecular weight of 385.51 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-1-piperazin-1-yl-4-thieno[3,2-c]pyridin-4-ylbutan-1-ol is sourced from PubChem (CID 57239630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).