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

C21H25FN2O3 — CID 16801157

IUPAC1-[2-[3-[4-(2-fluorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]ethanone
SMILESCC(=O)c1ccccc1OCC(O)CN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C21H25FN2O3/c1-16(25)18-6-2-5-9-21(18)27-15-17(26)14-23-10-12-24(13-11-23)20-8-4-3-7-19(20)22/h2-9,17,26H,10-15H2,1H3
InChIKeyFXQNGSFCYZRBOV-UHFFFAOYSA-N
MW372.44 g/mol
LogP2.59
Rot. Bonds7

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

1-[2-[3-[4-(2-fluorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]ethanone (PubChem CID 16801157) has the molecular formula C21H25FN2O3 and a molecular weight of 372.44 g/mol. Its IUPAC name is 1-[2-[3-[4-(2-fluorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[3-[4-(2-fluorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]ethanone
PubChem CID16801157
Molecular FormulaC21H25FN2O3
Molecular Weight372.44 g/mol
Exact Mass372.18
IUPAC Name1-[2-[3-[4-(2-fluorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]ethanone
SMILESCC(=O)c1ccccc1OCC(O)CN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C21H25FN2O3/c1-16(25)18-6-2-5-9-21(18)27-15-17(26)14-23-10-12-24(13-11-23)20-8-4-3-7-19(20)22/h2-9,17,26H,10-15H2,1H3
InChIKeyFXQNGSFCYZRBOV-UHFFFAOYSA-N
XLogP2.59
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-[4-(2-fluorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]ethanone?
The IUPAC name of 1-[2-[3-[4-(2-fluorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]ethanone (CID 16801157) is 1-[2-[3-[4-(2-fluorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]ethanone.
What is the SMILES notation for 1-[2-[3-[4-(2-fluorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]ethanone?
The canonical SMILES for 1-[2-[3-[4-(2-fluorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]ethanone is CC(=O)c1ccccc1OCC(O)CN1CCN(c2ccccc2F)CC1.
What is the InChIKey of 1-[2-[3-[4-(2-fluorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]ethanone?
The InChIKey is FXQNGSFCYZRBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O3/c1-16(25)18-6-2-5-9-21(18)27-15-17(26)14-23-10-12-24(13-11-23)20-8-4-3-7-19(20)22/h2-9,17,26H,10-15H2,1H3.
What are the key properties of 1-[2-[3-[4-(2-fluorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]ethanone?
1-[2-[3-[4-(2-fluorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]ethanone has a molecular weight of 372.44 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-[4-(2-fluorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]ethanone is sourced from PubChem (CID 16801157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).