5-benzyl-2-[2-(4-fluorophenyl)ethyl]-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-ol

C22H26FNO — CID 144818896

IUPAC5-benzyl-2-[2-(4-fluorophenyl)ethyl]-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-ol
SMILESOC1(Cc2ccccc2)CC2CN(CCc3ccc(F)cc3)CC2C1
InChIInChI=1S/C22H26FNO/c23-21-8-6-17(7-9-21)10-11-24-15-19-13-22(25,14-20(19)16-24)12-18-4-2-1-3-5-18/h1-9,19-20,25H,10-16H2
InChIKeySQGGDDJODGXYCP-UHFFFAOYSA-N
MW339.45 g/mol
LogP3.68
Rot. Bonds5

About 5-benzyl-2-[2-(4-fluorophenyl)ethyl]-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-ol

5-benzyl-2-[2-(4-fluorophenyl)ethyl]-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-ol (PubChem CID 144818896) has the molecular formula C22H26FNO and a molecular weight of 339.45 g/mol. Its IUPAC name is 5-benzyl-2-[2-(4-fluorophenyl)ethyl]-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-ol.

Molecular Properties

Compound Name5-benzyl-2-[2-(4-fluorophenyl)ethyl]-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-ol
PubChem CID144818896
Molecular FormulaC22H26FNO
Molecular Weight339.45 g/mol
Exact Mass339.20
IUPAC Name5-benzyl-2-[2-(4-fluorophenyl)ethyl]-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-ol
SMILESOC1(Cc2ccccc2)CC2CN(CCc3ccc(F)cc3)CC2C1
InChIInChI=1S/C22H26FNO/c23-21-8-6-17(7-9-21)10-11-24-15-19-13-22(25,14-20(19)16-24)12-18-4-2-1-3-5-18/h1-9,19-20,25H,10-16H2
InChIKeySQGGDDJODGXYCP-UHFFFAOYSA-N
XLogP3.68
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.45
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-[2-(4-fluorophenyl)ethyl]-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-ol?
The IUPAC name of 5-benzyl-2-[2-(4-fluorophenyl)ethyl]-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-ol (CID 144818896) is 5-benzyl-2-[2-(4-fluorophenyl)ethyl]-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-ol.
What is the SMILES notation for 5-benzyl-2-[2-(4-fluorophenyl)ethyl]-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-ol?
The canonical SMILES for 5-benzyl-2-[2-(4-fluorophenyl)ethyl]-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-ol is OC1(Cc2ccccc2)CC2CN(CCc3ccc(F)cc3)CC2C1.
What is the InChIKey of 5-benzyl-2-[2-(4-fluorophenyl)ethyl]-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-ol?
The InChIKey is SQGGDDJODGXYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FNO/c23-21-8-6-17(7-9-21)10-11-24-15-19-13-22(25,14-20(19)16-24)12-18-4-2-1-3-5-18/h1-9,19-20,25H,10-16H2.
What are the key properties of 5-benzyl-2-[2-(4-fluorophenyl)ethyl]-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-ol?
5-benzyl-2-[2-(4-fluorophenyl)ethyl]-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-ol has a molecular weight of 339.45 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-[2-(4-fluorophenyl)ethyl]-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-ol is sourced from PubChem (CID 144818896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).