1-[4-[3-(2-fluorophenyl)propyl]piperazin-1-yl]-2-phenoxyethanone

C21H25FN2O2 — CID 110602312

IUPAC1-[4-[3-(2-fluorophenyl)propyl]piperazin-1-yl]-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1CCN(CCCc2ccccc2F)CC1
InChIInChI=1S/C21H25FN2O2/c22-20-11-5-4-7-18(20)8-6-12-23-13-15-24(16-14-23)21(25)17-26-19-9-2-1-3-10-19/h1-5,7,9-11H,6,8,12-17H2
InChIKeyLFNMGRBEGQAYCT-UHFFFAOYSA-N
MW356.44 g/mol
LogP2.98
Rot. Bonds7

About 1-[4-[3-(2-fluorophenyl)propyl]piperazin-1-yl]-2-phenoxyethanone

1-[4-[3-(2-fluorophenyl)propyl]piperazin-1-yl]-2-phenoxyethanone (PubChem CID 110602312) has the molecular formula C21H25FN2O2 and a molecular weight of 356.44 g/mol. Its IUPAC name is 1-[4-[3-(2-fluorophenyl)propyl]piperazin-1-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[4-[3-(2-fluorophenyl)propyl]piperazin-1-yl]-2-phenoxyethanone
PubChem CID110602312
Molecular FormulaC21H25FN2O2
Molecular Weight356.44 g/mol
Exact Mass356.19
IUPAC Name1-[4-[3-(2-fluorophenyl)propyl]piperazin-1-yl]-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1CCN(CCCc2ccccc2F)CC1
InChIInChI=1S/C21H25FN2O2/c22-20-11-5-4-7-18(20)8-6-12-23-13-15-24(16-14-23)21(25)17-26-19-9-2-1-3-10-19/h1-5,7,9-11H,6,8,12-17H2
InChIKeyLFNMGRBEGQAYCT-UHFFFAOYSA-N
XLogP2.98
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenoxy)-1-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]ethanone
CID 110412047
2-(2-fluorophenyl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone
CID 78788994
1-[4-[3-(2-fluorophenyl)propyl]piperazin-1-yl]butan-1-one
CID 110413324
2-phenoxy-1-[4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]ethanone
CID 59382114
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
1-[4-(2-bromoethyl)piperazin-1-yl]-2-phenoxyethanone
CID 80659936
1-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 78877266
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-phenoxyethanone
CID 807242
1-[4-[[2-(hydroxymethyl)phenyl]methyl]piperazin-1-yl]-2-phenoxyethanone
CID 46998642
(4-fluorophenyl)-[4-[3-(2-fluorophenyl)propyl]piperazin-1-yl]methanone
CID 110413339
1-[4-(3-methylbutyl)piperazin-1-yl]-2-phenoxyethanone
CID 47043100
2-(3-methylphenoxy)-1-[4-(3-phenylpropyl)piperazin-1-yl]ethanone
CID 1360908

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(2-fluorophenyl)propyl]piperazin-1-yl]-2-phenoxyethanone?
The IUPAC name of 1-[4-[3-(2-fluorophenyl)propyl]piperazin-1-yl]-2-phenoxyethanone (CID 110602312) is 1-[4-[3-(2-fluorophenyl)propyl]piperazin-1-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[4-[3-(2-fluorophenyl)propyl]piperazin-1-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[4-[3-(2-fluorophenyl)propyl]piperazin-1-yl]-2-phenoxyethanone is O=C(COc1ccccc1)N1CCN(CCCc2ccccc2F)CC1.
What is the InChIKey of 1-[4-[3-(2-fluorophenyl)propyl]piperazin-1-yl]-2-phenoxyethanone?
The InChIKey is LFNMGRBEGQAYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O2/c22-20-11-5-4-7-18(20)8-6-12-23-13-15-24(16-14-23)21(25)17-26-19-9-2-1-3-10-19/h1-5,7,9-11H,6,8,12-17H2.
What are the key properties of 1-[4-[3-(2-fluorophenyl)propyl]piperazin-1-yl]-2-phenoxyethanone?
1-[4-[3-(2-fluorophenyl)propyl]piperazin-1-yl]-2-phenoxyethanone has a molecular weight of 356.44 g/mol, XLogP of 2.98, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(2-fluorophenyl)propyl]piperazin-1-yl]-2-phenoxyethanone is sourced from PubChem (CID 110602312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).