1-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-2-naphthalen-2-yloxyethanone

C23H24FN2O2+ — CID 6982152

IUPAC1-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-2-naphthalen-2-yloxyethanone
SMILESO=C(COc1ccc2ccccc2c1)N1CC[NH+](Cc2ccc(F)cc2)CC1
InChIInChI=1S/C23H23FN2O2/c24-21-8-5-18(6-9-21)16-25-11-13-26(14-12-25)23(27)17-28-22-10-7-19-3-1-2-4-20(19)15-22/h1-10,15H,11-14,16-17H2/p+1
InChIKeyAGMHMHQXDAGPKW-UHFFFAOYSA-O
MW379.46 g/mol
LogP2.29
Rot. Bonds5

About 1-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-2-naphthalen-2-yloxyethanone

1-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-2-naphthalen-2-yloxyethanone (PubChem CID 6982152) has the molecular formula C23H24FN2O2+ and a molecular weight of 379.46 g/mol. Its IUPAC name is 1-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-2-naphthalen-2-yloxyethanone.

Molecular Properties

Compound Name1-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-2-naphthalen-2-yloxyethanone
PubChem CID6982152
Molecular FormulaC23H24FN2O2+
Molecular Weight379.46 g/mol
Exact Mass379.18
IUPAC Name1-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-2-naphthalen-2-yloxyethanone
SMILESO=C(COc1ccc2ccccc2c1)N1CC[NH+](Cc2ccc(F)cc2)CC1
InChIInChI=1S/C23H23FN2O2/c24-21-8-5-18(6-9-21)16-25-11-13-26(14-12-25)23(27)17-28-22-10-7-19-3-1-2-4-20(19)15-22/h1-10,15H,11-14,16-17H2/p+1
InChIKeyAGMHMHQXDAGPKW-UHFFFAOYSA-O
XLogP2.29
TPSA33.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-2-naphthalen-2-yloxyethanone with MolForge

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Related Compounds

2-(4-bromophenoxy)-1-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]ethanone
CID 7028182
1-(azepan-1-yl)-2-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-ium-1-yl]ethanone
CID 9209259
1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-naphthalen-2-yloxyethanone
CID 8797095
1-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]-2-(4-methylphenoxy)ethanone
CID 4743867
2-naphthalen-2-yloxy-1-piperazin-1-ylethanone;hydrochloride
CID 119400066
2-(4-methylphenoxy)-1-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]ethanone
CID 4743854
1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-naphthalen-2-yloxyethanone
CID 1072053
1-[4-[(4-nitrophenyl)methyl]piperazin-4-ium-1-yl]-2-phenoxyethanone
CID 4753887
2-(4-chlorophenoxy)-1-[4-[(4-ethylphenyl)methyl]piperazin-4-ium-1-yl]ethanone
CID 7330223
1-[(4-fluorophenyl)methyl]-4-(naphthalen-2-ylmethyl)piperazine-1,4-diium
CID 4744293
N-(2-methoxyethyl)-2-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-ium-1-yl]acetamide
CID 8541523
1-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-2-naphthalen-2-yloxyethanone
CID 1357381

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-2-naphthalen-2-yloxyethanone?
The IUPAC name of 1-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-2-naphthalen-2-yloxyethanone (CID 6982152) is 1-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-2-naphthalen-2-yloxyethanone.
What is the SMILES notation for 1-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-2-naphthalen-2-yloxyethanone?
The canonical SMILES for 1-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-2-naphthalen-2-yloxyethanone is O=C(COc1ccc2ccccc2c1)N1CC[NH+](Cc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-2-naphthalen-2-yloxyethanone?
The InChIKey is AGMHMHQXDAGPKW-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H23FN2O2/c24-21-8-5-18(6-9-21)16-25-11-13-26(14-12-25)23(27)17-28-22-10-7-19-3-1-2-4-20(19)15-22/h1-10,15H,11-14,16-17H2/p+1.
What are the key properties of 1-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-2-naphthalen-2-yloxyethanone?
1-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-2-naphthalen-2-yloxyethanone has a molecular weight of 379.46 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-2-naphthalen-2-yloxyethanone is sourced from PubChem (CID 6982152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).