1-(4-fluoro-2-methoxyphenyl)-4-pyridin-2-ylpiperazine

C16H18FN3O — CID 133315766

IUPAC1-(4-fluoro-2-methoxyphenyl)-4-pyridin-2-ylpiperazine
SMILESCOc1cc(F)ccc1N1CCN(c2ccccn2)CC1
InChIInChI=1S/C16H18FN3O/c1-21-15-12-13(17)5-6-14(15)19-8-10-20(11-9-19)16-4-2-3-7-18-16/h2-7,12H,8-11H2,1H3
InChIKeyNHYOYXFEQKZBRW-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.56
Rot. Bonds3

About 1-(4-fluoro-2-methoxyphenyl)-4-pyridin-2-ylpiperazine

1-(4-fluoro-2-methoxyphenyl)-4-pyridin-2-ylpiperazine (PubChem CID 133315766) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is 1-(4-fluoro-2-methoxyphenyl)-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-(4-fluoro-2-methoxyphenyl)-4-pyridin-2-ylpiperazine
PubChem CID133315766
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name1-(4-fluoro-2-methoxyphenyl)-4-pyridin-2-ylpiperazine
SMILESCOc1cc(F)ccc1N1CCN(c2ccccn2)CC1
InChIInChI=1S/C16H18FN3O/c1-21-15-12-13(17)5-6-14(15)19-8-10-20(11-9-19)16-4-2-3-7-18-16/h2-7,12H,8-11H2,1H3
InChIKeyNHYOYXFEQKZBRW-UHFFFAOYSA-N
XLogP2.56
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(chloromethyl)-4-fluorophenyl]-4-pyridin-2-ylpiperazine
CID 43313513
2-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]quinoline
CID 133315726
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 108530749
4-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-2-(methoxymethyl)pyrimidine
CID 136568988
1-(4-fluoro-2-methoxyphenyl)-4-(5-nitro-2-pyridinyl)piperazine
CID 133315732
1-(4-fluoro-2-methoxyphenyl)-4-(3-nitro-2-pyridinyl)piperazine
CID 133315780
8-methoxy-5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 82582998
1-pyridin-2-yl-4-(2,3,4-trifluorophenyl)piperazine
CID 110454799
2-methoxy-4-(4-pyridin-2-ylpiperazin-1-yl)aniline
CID 63671263
1-methoxy-4-pyridin-2-ylpiperazine
CID 59857720
2-fluoro-1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-one
CID 122157838
8-methoxy-4-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline
CID 23931520

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methoxyphenyl)-4-pyridin-2-ylpiperazine?
The IUPAC name of 1-(4-fluoro-2-methoxyphenyl)-4-pyridin-2-ylpiperazine (CID 133315766) is 1-(4-fluoro-2-methoxyphenyl)-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-(4-fluoro-2-methoxyphenyl)-4-pyridin-2-ylpiperazine?
The canonical SMILES for 1-(4-fluoro-2-methoxyphenyl)-4-pyridin-2-ylpiperazine is COc1cc(F)ccc1N1CCN(c2ccccn2)CC1.
What is the InChIKey of 1-(4-fluoro-2-methoxyphenyl)-4-pyridin-2-ylpiperazine?
The InChIKey is NHYOYXFEQKZBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-21-15-12-13(17)5-6-14(15)19-8-10-20(11-9-19)16-4-2-3-7-18-16/h2-7,12H,8-11H2,1H3.
What are the key properties of 1-(4-fluoro-2-methoxyphenyl)-4-pyridin-2-ylpiperazine?
1-(4-fluoro-2-methoxyphenyl)-4-pyridin-2-ylpiperazine has a molecular weight of 287.34 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methoxyphenyl)-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 133315766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).