[3-(4-fluorophenyl)-4-methylpiperazin-1-yl]-pyridin-4-ylmethanone

C17H18FN3O — CID 84513587

IUPAC[3-(4-fluorophenyl)-4-methylpiperazin-1-yl]-pyridin-4-ylmethanone
SMILESCN1CCN(C(=O)c2ccncc2)CC1c1ccc(F)cc1
InChIInChI=1S/C17H18FN3O/c1-20-10-11-21(17(22)14-6-8-19-9-7-14)12-16(20)13-2-4-15(18)5-3-13/h2-9,16H,10-12H2,1H3
InChIKeyHWKOKRSTIUXJOI-UHFFFAOYSA-N
MW299.35 g/mol
LogP2.35
Rot. Bonds2

About [3-(4-fluorophenyl)-4-methylpiperazin-1-yl]-pyridin-4-ylmethanone

[3-(4-fluorophenyl)-4-methylpiperazin-1-yl]-pyridin-4-ylmethanone (PubChem CID 84513587) has the molecular formula C17H18FN3O and a molecular weight of 299.35 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-4-methylpiperazin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-4-methylpiperazin-1-yl]-pyridin-4-ylmethanone
PubChem CID84513587
Molecular FormulaC17H18FN3O
Molecular Weight299.35 g/mol
Exact Mass299.14
IUPAC Name[3-(4-fluorophenyl)-4-methylpiperazin-1-yl]-pyridin-4-ylmethanone
SMILESCN1CCN(C(=O)c2ccncc2)CC1c1ccc(F)cc1
InChIInChI=1S/C17H18FN3O/c1-20-10-11-21(17(22)14-6-8-19-9-7-14)12-16(20)13-2-4-15(18)5-3-13/h2-9,16H,10-12H2,1H3
InChIKeyHWKOKRSTIUXJOI-UHFFFAOYSA-N
XLogP2.35
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(4-fluorophenyl)-4-methylpiperazin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 110416916
(4-methyl-3-phenylpiperazin-1-yl)-pyridazin-4-ylmethanone
CID 86285379
[(3R)-3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]-pyridin-3-ylmethanone
CID 124953934
1-[3-(4-fluorophenyl)-4-methylpiperazin-1-yl]-4-pyridin-3-ylbutan-1-one
CID 110610624
3-(4-fluorophenyl)-4-methyl-N-(3-methylbutyl)piperazine-1-carboxamide
CID 110617343
1-[3-(4-fluorophenyl)-4-methylpiperazin-1-yl]-3-methylsulfonylpropan-1-one
CID 110610609
(2R)-4-(4-fluorobenzoyl)-N,1-dimethylpiperazine-2-carboxamide
CID 124993020
N-(3-chlorophenyl)-3-(4-fluorophenyl)-4-methylpiperazine-1-carboxamide
CID 110418645
1-(4-chlorophenyl)-4-[3-(4-fluorophenyl)-4-methylpiperazin-1-yl]butane-1,4-dione
CID 110617335
(2-fluorophenyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone
CID 110418472
(4-methyl-3-phenylpiperazin-1-yl)-(4-pyrrol-1-ylphenyl)methanone
CID 110416835
(E)-1-[3-(4-fluorophenyl)-4-methylpiperazin-1-yl]-2-methyl-3-phenylprop-2-en-1-one
CID 110617340

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-4-methylpiperazin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [3-(4-fluorophenyl)-4-methylpiperazin-1-yl]-pyridin-4-ylmethanone (CID 84513587) is [3-(4-fluorophenyl)-4-methylpiperazin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [3-(4-fluorophenyl)-4-methylpiperazin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [3-(4-fluorophenyl)-4-methylpiperazin-1-yl]-pyridin-4-ylmethanone is CN1CCN(C(=O)c2ccncc2)CC1c1ccc(F)cc1.
What is the InChIKey of [3-(4-fluorophenyl)-4-methylpiperazin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is HWKOKRSTIUXJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O/c1-20-10-11-21(17(22)14-6-8-19-9-7-14)12-16(20)13-2-4-15(18)5-3-13/h2-9,16H,10-12H2,1H3.
What are the key properties of [3-(4-fluorophenyl)-4-methylpiperazin-1-yl]-pyridin-4-ylmethanone?
[3-(4-fluorophenyl)-4-methylpiperazin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 299.35 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-4-methylpiperazin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 84513587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).