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

C19H21FN2O2 — CID 805017

IUPAC1-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCOc1ccc(N2CCN(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
InChIKeyXKDGUUFJDBKFTQ-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.84
Rot. Bonds5

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

1-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone (PubChem CID 805017) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
PubChem CID805017
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name1-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCOc1ccc(N2CCN(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
InChIKeyXKDGUUFJDBKFTQ-UHFFFAOYSA-N
XLogP2.84
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone (CID 805017) is 1-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone is COc1ccc(N2CCN(CC(=O)c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone?
The InChIKey is XKDGUUFJDBKFTQ-UHFFFAOYSA-N. 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.
What are the key properties of 1-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone?
1-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone has a molecular weight of 328.39 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 805017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).