1-(3-aminophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]ethanone

C18H20FN3O — CID 82071237

IUPAC1-(3-aminophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
SMILESNc1cccc(C(=O)CN2CCN(c3ccccc3F)CC2)c1
InChIInChI=1S/C18H20FN3O/c19-16-6-1-2-7-17(16)22-10-8-21(9-11-22)13-18(23)14-4-3-5-15(20)12-14/h1-7,12H,8-11,13,20H2
InChIKeyABSARMAOGIOKDW-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.41
Rot. Bonds4

About 1-(3-aminophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]ethanone

1-(3-aminophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]ethanone (PubChem CID 82071237) has the molecular formula C18H20FN3O and a molecular weight of 313.38 g/mol. Its IUPAC name is 1-(3-aminophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(3-aminophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
PubChem CID82071237
Molecular FormulaC18H20FN3O
Molecular Weight313.38 g/mol
Exact Mass313.16
IUPAC Name1-(3-aminophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
SMILESNc1cccc(C(=O)CN2CCN(c3ccccc3F)CC2)c1
InChIInChI=1S/C18H20FN3O/c19-16-6-1-2-7-17(16)22-10-8-21(9-11-22)13-18(23)14-4-3-5-15(20)12-14/h1-7,12H,8-11,13,20H2
InChIKeyABSARMAOGIOKDW-UHFFFAOYSA-N
XLogP2.41
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-(3-aminophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]ethanone (CID 82071237) is 1-(3-aminophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(3-aminophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-(3-aminophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]ethanone is Nc1cccc(C(=O)CN2CCN(c3ccccc3F)CC2)c1.
What is the InChIKey of 1-(3-aminophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]ethanone?
The InChIKey is ABSARMAOGIOKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O/c19-16-6-1-2-7-17(16)22-10-8-21(9-11-22)13-18(23)14-4-3-5-15(20)12-14/h1-7,12H,8-11,13,20H2.
What are the key properties of 1-(3-aminophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]ethanone?
1-(3-aminophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]ethanone has a molecular weight of 313.38 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 82071237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).