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

C19H21FN2O2 — CID 861110

IUPAC2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)CN2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C19H21FN2O2/c1-24-18-8-2-15(3-9-18)19(23)14-21-10-12-22(13-11-21)17-6-4-16(20)5-7-17/h2-9H,10-14H2,1H3
InChIKeyAAIKREZGUXVKTN-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.84
Rot. Bonds5

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

2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone (PubChem CID 861110) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone
PubChem CID861110
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)CN2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C19H21FN2O2/c1-24-18-8-2-15(3-9-18)19(23)14-21-10-12-22(13-11-21)17-6-4-16(20)5-7-17/h2-9H,10-14H2,1H3
InChIKeyAAIKREZGUXVKTN-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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone?
The IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone (CID 861110) is 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone?
The canonical SMILES for 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone is COc1ccc(C(=O)CN2CCN(c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone?
The InChIKey is AAIKREZGUXVKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-24-18-8-2-15(3-9-18)19(23)14-21-10-12-22(13-11-21)17-6-4-16(20)5-7-17/h2-9H,10-14H2,1H3.
What are the key properties of 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone?
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)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 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 861110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).