1-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenylmethoxyethanone

C19H21FN2O2 — CID 24762868

IUPAC1-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenylmethoxyethanone
SMILESO=C(COCc1ccccc1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H21FN2O2/c20-17-6-8-18(9-7-17)21-10-12-22(13-11-21)19(23)15-24-14-16-4-2-1-3-5-16/h1-9H,10-15H2
InChIKeyPNMZFJOPBFIRGI-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.69
Rot. Bonds5

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

1-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenylmethoxyethanone (PubChem CID 24762868) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenylmethoxyethanone.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenylmethoxyethanone
PubChem CID24762868
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name1-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenylmethoxyethanone
SMILESO=C(COCc1ccccc1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H21FN2O2/c20-17-6-8-18(9-7-17)21-10-12-22(13-11-21)19(23)15-24-14-16-4-2-1-3-5-16/h1-9H,10-15H2
InChIKeyPNMZFJOPBFIRGI-UHFFFAOYSA-N
XLogP2.69
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenylmethoxyethanone?
The IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenylmethoxyethanone (CID 24762868) is 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenylmethoxyethanone.
What is the SMILES notation for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenylmethoxyethanone?
The canonical SMILES for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenylmethoxyethanone is O=C(COCc1ccccc1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenylmethoxyethanone?
The InChIKey is PNMZFJOPBFIRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c20-17-6-8-18(9-7-17)21-10-12-22(13-11-21)19(23)15-24-14-16-4-2-1-3-5-16/h1-9H,10-15H2.
What are the key properties of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenylmethoxyethanone?
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenylmethoxyethanone has a molecular weight of 328.39 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenylmethoxyethanone is sourced from PubChem (CID 24762868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).