1-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethanone

C19H22FN2O2+ — CID 4743766

IUPAC1-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethanone
SMILESCOc1ccc(N2CC[NH+](CC(=O)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C19H21FN2O2/c1-24-18-8-6-17(7-9-18)22-12-10-21(11-13-22)14-19(23)15-2-4-16(20)5-3-15/h2-9H,10-14H2,1H3/p+1
InChIKeyXKDGUUFJDBKFTQ-UHFFFAOYSA-O
MW329.40 g/mol
LogP1.42
Rot. Bonds5

About 1-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethanone

1-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethanone (PubChem CID 4743766) has the molecular formula C19H22FN2O2+ and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethanone
PubChem CID4743766
Molecular FormulaC19H22FN2O2+
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name1-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethanone
SMILESCOc1ccc(N2CC[NH+](CC(=O)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C19H21FN2O2/c1-24-18-8-6-17(7-9-18)22-12-10-21(11-13-22)14-19(23)15-2-4-16(20)5-3-15/h2-9H,10-14H2,1H3/p+1
InChIKeyXKDGUUFJDBKFTQ-UHFFFAOYSA-O
XLogP1.42
TPSA33.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 7106994
N-(2-methoxyphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 7738758
N-(5-chloro-2-fluorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 8587427
ethyl N-[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]carbamate
CID 8587066
N'-(4-fluorobenzoyl)-4-(4-methoxyphenyl)piperazine-1-carbohydrazide
CID 18144093
N,N-diethyl-4-[[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide
CID 8587287
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-1-(4-methoxyphenyl)ethanone
CID 5056586
2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2062138
1-(2,4-dihydroxy-3-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethanone
CID 7162005
1-(4-fluorophenyl)-4-[(3-methoxyphenyl)methyl]piperazin-4-ium
CID 6939415
N-(4-acetamidophenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide
CID 8704189
2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N-naphthalen-2-ylacetamide
CID 2483117

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethanone (CID 4743766) is 1-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethanone is COc1ccc(N2CC[NH+](CC(=O)c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethanone?
The InChIKey is XKDGUUFJDBKFTQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H21FN2O2/c1-24-18-8-6-17(7-9-18)22-12-10-21(11-13-22)14-19(23)15-2-4-16(20)5-3-15/h2-9H,10-14H2,1H3/p+1.
What are the key properties of 1-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethanone?
1-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethanone has a molecular weight of 329.40 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethanone is sourced from PubChem (CID 4743766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).