1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one

C13H17FN2O — CID 3659016

IUPAC1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C13H17FN2O/c1-2-13(17)16-9-7-15(8-10-16)12-5-3-11(14)4-6-12/h3-6H,2,7-10H2,1H3
InChIKeyGKRKKRKSPVXVOA-UHFFFAOYSA-N
MW236.29 g/mol
LogP1.88
Rot. Bonds2

About 1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one

1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one (PubChem CID 3659016) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
PubChem CID3659016
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C13H17FN2O/c1-2-13(17)16-9-7-15(8-10-16)12-5-3-11(14)4-6-12/h3-6H,2,7-10H2,1H3
InChIKeyGKRKKRKSPVXVOA-UHFFFAOYSA-N
XLogP1.88
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(4-fluorophenyl)piperazin-1-yl]hexan-1-one
CID 591294
1-[4-(4-fluorophenyl)piperazin-1-yl]octan-1-one
CID 4161880
1-[4-(4-fluorophenyl)piperazin-1-yl]decan-1-one
CID 3670051
3-(ethylamino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 62832473
1-[4-(4-pyrrol-1-ylphenyl)piperazin-1-yl]propan-1-one
CID 91674743
ethyl 4-(4-fluorophenyl)piperazine-1-carboxylate
CID 4179359
3-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methylbutan-1-one
CID 64685927
3-(4-ethylphenyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 41448906
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 108995416
ethane;1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(2-methylhydrazinyl)ethanone
CID 142843333
1-[4-(4-fluoro-2-phosphanylphenyl)piperazin-1-yl]propan-1-one
CID 143517181
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(4-methylpiperazin-1-yl)propan-1-one
CID 110853267

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one (CID 3659016) is 1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one is CCC(=O)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?
The InChIKey is GKRKKRKSPVXVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-2-13(17)16-9-7-15(8-10-16)12-5-3-11(14)4-6-12/h3-6H,2,7-10H2,1H3.
What are the key properties of 1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?
1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one has a molecular weight of 236.29 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 3659016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).