1-[4-[[2-(2-fluorophenyl)phenyl]methyl]piperazin-1-yl]-2-methoxyethanone

C20H23FN2O2 — CID 134801566

IUPAC1-[4-[[2-(2-fluorophenyl)phenyl]methyl]piperazin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCN(Cc2ccccc2-c2ccccc2F)CC1
InChIInChI=1S/C20H23FN2O2/c1-25-15-20(24)23-12-10-22(11-13-23)14-16-6-2-3-7-17(16)18-8-4-5-9-19(18)21/h2-9H,10-15H2,1H3
InChIKeyQCSJHDFEHLTIBJ-UHFFFAOYSA-N
MW342.41 g/mol
LogP2.78
Rot. Bonds5

About 1-[4-[[2-(2-fluorophenyl)phenyl]methyl]piperazin-1-yl]-2-methoxyethanone

1-[4-[[2-(2-fluorophenyl)phenyl]methyl]piperazin-1-yl]-2-methoxyethanone (PubChem CID 134801566) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is 1-[4-[[2-(2-fluorophenyl)phenyl]methyl]piperazin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[4-[[2-(2-fluorophenyl)phenyl]methyl]piperazin-1-yl]-2-methoxyethanone
PubChem CID134801566
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name1-[4-[[2-(2-fluorophenyl)phenyl]methyl]piperazin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCN(Cc2ccccc2-c2ccccc2F)CC1
InChIInChI=1S/C20H23FN2O2/c1-25-15-20(24)23-12-10-22(11-13-23)14-16-6-2-3-7-17(16)18-8-4-5-9-19(18)21/h2-9H,10-15H2,1H3
InChIKeyQCSJHDFEHLTIBJ-UHFFFAOYSA-N
XLogP2.78
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
CID 164851908
1-(9-Benzhydryl-3,9-diazaspiro[5.5]undecan-3-yl)-2-methoxyethanone
CID 3234683
US10927128, Example 89
CID 135374653
US10927128, Example 71
CID 135374664
US10927128, Example 84
CID 135374773
US10927128, Example 70
CID 135374933
Acetamide, 2-(2-(4-(diphenylmethyl)-1-piperazinyl)ethoxy)-, dihydrochloride
CID 3068838
Acetamide, 2-(2-(4-((4-fluorophenyl)phenylmethyl)-1-piperazinyl)ethoxy)-
CID 3068841
1-[(5S)-2-benzhydryl-2,7-diazaspiro[4.5]decan-7-yl]-2-methoxyethanone
CID 3233551
1-(2-Benzhydryl-2,7-diazaspiro[3.5]nonan-7-yl)-2-methoxyethanone
CID 3234333
1-(2-Benzhydryl-2,9-diazaspiro[5.5]undecan-9-yl)-2-methoxyethanone
CID 3234777
1-Acetyl-4-[bis(4-fluorophenyl)methyl]piperazine
CID 4792808

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-(2-fluorophenyl)phenyl]methyl]piperazin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[4-[[2-(2-fluorophenyl)phenyl]methyl]piperazin-1-yl]-2-methoxyethanone (CID 134801566) is 1-[4-[[2-(2-fluorophenyl)phenyl]methyl]piperazin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[4-[[2-(2-fluorophenyl)phenyl]methyl]piperazin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[4-[[2-(2-fluorophenyl)phenyl]methyl]piperazin-1-yl]-2-methoxyethanone is COCC(=O)N1CCN(Cc2ccccc2-c2ccccc2F)CC1.
What is the InChIKey of 1-[4-[[2-(2-fluorophenyl)phenyl]methyl]piperazin-1-yl]-2-methoxyethanone?
The InChIKey is QCSJHDFEHLTIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c1-25-15-20(24)23-12-10-22(11-13-23)14-16-6-2-3-7-17(16)18-8-4-5-9-19(18)21/h2-9H,10-15H2,1H3.
What are the key properties of 1-[4-[[2-(2-fluorophenyl)phenyl]methyl]piperazin-1-yl]-2-methoxyethanone?
1-[4-[[2-(2-fluorophenyl)phenyl]methyl]piperazin-1-yl]-2-methoxyethanone has a molecular weight of 342.41 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[2-(2-fluorophenyl)phenyl]methyl]piperazin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 134801566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).