1-[4-(2-fluorophenyl)piperazin-1-yl]-2-naphthalen-1-ylethanone

C22H21FN2O — CID 20969017

IUPAC1-[4-(2-fluorophenyl)piperazin-1-yl]-2-naphthalen-1-ylethanone
SMILESO=C(Cc1cccc2ccccc12)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C22H21FN2O/c23-20-10-3-4-11-21(20)24-12-14-25(15-13-24)22(26)16-18-8-5-7-17-6-1-2-9-19(17)18/h1-11H,12-16H2
InChIKeyDFUMDWYKVYLJGK-UHFFFAOYSA-N
MW348.42 g/mol
LogP3.87
Rot. Bonds3

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

1-[4-(2-fluorophenyl)piperazin-1-yl]-2-naphthalen-1-ylethanone (PubChem CID 20969017) has the molecular formula C22H21FN2O and a molecular weight of 348.42 g/mol. Its IUPAC name is 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-naphthalen-1-ylethanone.

Molecular Properties

Compound Name1-[4-(2-fluorophenyl)piperazin-1-yl]-2-naphthalen-1-ylethanone
PubChem CID20969017
Molecular FormulaC22H21FN2O
Molecular Weight348.42 g/mol
Exact Mass348.16
IUPAC Name1-[4-(2-fluorophenyl)piperazin-1-yl]-2-naphthalen-1-ylethanone
SMILESO=C(Cc1cccc2ccccc12)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C22H21FN2O/c23-20-10-3-4-11-21(20)24-12-14-25(15-13-24)22(26)16-18-8-5-7-17-6-1-2-9-19(17)18/h1-11H,12-16H2
InChIKeyDFUMDWYKVYLJGK-UHFFFAOYSA-N
XLogP3.87
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-2-naphthalen-1-ylethanone
CID 78849758
2-naphthalen-1-yl-1-pyrrolidin-1-ylethanone
CID 905345
2-(4-chloro-2-fluorophenyl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 100751498
1-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone
CID 113079899
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[2-(hydroxymethyl)phenoxy]ethanone
CID 110891889
2-(2,5-dimethylphenyl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 92681315
2-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]benzonitrile
CID 113080843
1-[4-(2-tert-butylphenyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone
CID 113076496
2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methylisoquinolin-1-one
CID 5058983
4-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]butan-1-one
CID 22692254
2-[(3-fluorophenyl)methyl]-4-[4-(2-naphthalen-1-ylacetyl)piperazin-1-yl]isoindole-1,3-dione
CID 42430357
2-naphthalen-1-yl-1-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]ethanone
CID 126853257

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-naphthalen-1-ylethanone?
The IUPAC name of 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-naphthalen-1-ylethanone (CID 20969017) is 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-naphthalen-1-ylethanone.
What is the SMILES notation for 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-naphthalen-1-ylethanone?
The canonical SMILES for 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-naphthalen-1-ylethanone is O=C(Cc1cccc2ccccc12)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-naphthalen-1-ylethanone?
The InChIKey is DFUMDWYKVYLJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O/c23-20-10-3-4-11-21(20)24-12-14-25(15-13-24)22(26)16-18-8-5-7-17-6-1-2-9-19(17)18/h1-11H,12-16H2.
What are the key properties of 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-naphthalen-1-ylethanone?
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-naphthalen-1-ylethanone has a molecular weight of 348.42 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-naphthalen-1-ylethanone is sourced from PubChem (CID 20969017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).