1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(8-hydroxy-3-azabicyclo[3.2.1]octan-3-yl)ethanone

C19H26FN3O2 — CID 167783334

IUPAC1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(8-hydroxy-3-azabicyclo[3.2.1]octan-3-yl)ethanone
SMILESO=C(CN1CC2CCC(C1)C2O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H26FN3O2/c20-16-3-5-17(6-4-16)22-7-9-23(10-8-22)18(24)13-21-11-14-1-2-15(12-21)19(14)25/h3-6,14-15,19,25H,1-2,7-13H2
InChIKeyJLKXSKVMJCGBQS-UHFFFAOYSA-N
MW347.43 g/mol
LogP1.18
Rot. Bonds3

About 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(8-hydroxy-3-azabicyclo[3.2.1]octan-3-yl)ethanone

1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(8-hydroxy-3-azabicyclo[3.2.1]octan-3-yl)ethanone (PubChem CID 167783334) has the molecular formula C19H26FN3O2 and a molecular weight of 347.43 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(8-hydroxy-3-azabicyclo[3.2.1]octan-3-yl)ethanone.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(8-hydroxy-3-azabicyclo[3.2.1]octan-3-yl)ethanone
PubChem CID167783334
Molecular FormulaC19H26FN3O2
Molecular Weight347.43 g/mol
Exact Mass347.20
IUPAC Name1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(8-hydroxy-3-azabicyclo[3.2.1]octan-3-yl)ethanone
SMILESO=C(CN1CC2CCC(C1)C2O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H26FN3O2/c20-16-3-5-17(6-4-16)22-7-9-23(10-8-22)18(24)13-21-11-14-1-2-15(12-21)19(14)25/h3-6,14-15,19,25H,1-2,7-13H2
InChIKeyJLKXSKVMJCGBQS-UHFFFAOYSA-N
XLogP1.18
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(8-hydroxy-3-azabicyclo[3.2.1]octan-3-yl)ethanone with MolForge

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Related Compounds

1-[4-(4-fluorophenyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 110688043
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 108995416
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 861157
1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 3659016
1-(4-benzylpiperidin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 653752
3-cyclohexyl-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 898320
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 111442592
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-hydroxyphenyl)ethanone
CID 78804359
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[4-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 60500933
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(3R)-1-methylsulfonylpyrrolidin-3-yl]ethanone
CID 164643350
1-(4-benzylpiperazin-1-yl)-2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]ethanone
CID 87015706
2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone
CID 87019545

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(8-hydroxy-3-azabicyclo[3.2.1]octan-3-yl)ethanone?
The IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(8-hydroxy-3-azabicyclo[3.2.1]octan-3-yl)ethanone (CID 167783334) is 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(8-hydroxy-3-azabicyclo[3.2.1]octan-3-yl)ethanone.
What is the SMILES notation for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(8-hydroxy-3-azabicyclo[3.2.1]octan-3-yl)ethanone?
The canonical SMILES for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(8-hydroxy-3-azabicyclo[3.2.1]octan-3-yl)ethanone is O=C(CN1CC2CCC(C1)C2O)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(8-hydroxy-3-azabicyclo[3.2.1]octan-3-yl)ethanone?
The InChIKey is JLKXSKVMJCGBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O2/c20-16-3-5-17(6-4-16)22-7-9-23(10-8-22)18(24)13-21-11-14-1-2-15(12-21)19(14)25/h3-6,14-15,19,25H,1-2,7-13H2.
What are the key properties of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(8-hydroxy-3-azabicyclo[3.2.1]octan-3-yl)ethanone?
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(8-hydroxy-3-azabicyclo[3.2.1]octan-3-yl)ethanone has a molecular weight of 347.43 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(8-hydroxy-3-azabicyclo[3.2.1]octan-3-yl)ethanone is sourced from PubChem (CID 167783334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).