1-(5-fluoro-3-pyridinyl)-4-prop-1-en-2-ylpiperazine

C12H16FN3 — CID 137468280

IUPAC1-(5-fluoro-3-pyridinyl)-4-prop-1-en-2-ylpiperazine
SMILESC=C(C)N1CCN(c2cncc(F)c2)CC1
InChIInChI=1S/C12H16FN3/c1-10(2)15-3-5-16(6-4-15)12-7-11(13)8-14-9-12/h7-9H,1,3-6H2,2H3
InChIKeyKGVNVTZNCOEEIF-UHFFFAOYSA-N
MW221.28 g/mol
LogP1.88
Rot. Bonds2

About 1-(5-fluoro-3-pyridinyl)-4-prop-1-en-2-ylpiperazine

1-(5-fluoro-3-pyridinyl)-4-prop-1-en-2-ylpiperazine (PubChem CID 137468280) has the molecular formula C12H16FN3 and a molecular weight of 221.28 g/mol. Its IUPAC name is 1-(5-fluoro-3-pyridinyl)-4-prop-1-en-2-ylpiperazine.

Molecular Properties

Compound Name1-(5-fluoro-3-pyridinyl)-4-prop-1-en-2-ylpiperazine
PubChem CID137468280
Molecular FormulaC12H16FN3
Molecular Weight221.28 g/mol
Exact Mass221.13
IUPAC Name1-(5-fluoro-3-pyridinyl)-4-prop-1-en-2-ylpiperazine
SMILESC=C(C)N1CCN(c2cncc(F)c2)CC1
InChIInChI=1S/C12H16FN3/c1-10(2)15-3-5-16(6-4-15)12-7-11(13)8-14-9-12/h7-9H,1,3-6H2,2H3
InChIKeyKGVNVTZNCOEEIF-UHFFFAOYSA-N
XLogP1.88
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-1-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-3-hydroxypropan-1-one
CID 166299019
1-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-2-(3-methylpyrrolidin-1-yl)ethanone
CID 138004925
1-[2-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
CID 154763216
[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-(1-methyl-4,5,6,7-tetrahydroindazol-6-yl)methanone
CID 136551235
N-(4-acetamidophenyl)-2-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]acetamide
CID 100665806
1-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one
CID 136537775
5-(4-prop-1-en-2-ylpiperazin-1-yl)pyridin-2-amine
CID 176665681
2-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
CID 136537490
(1S,5R)-3-(5-fluoro-3-pyridinyl)-3-azabicyclo[3.1.0]hexane
CID 142422963
2-(6-ethoxy-2-pyridinyl)-1-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]ethanone
CID 138004927
[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-[2-(1H-imidazol-2-yl)-4-pyridinyl]methanone
CID 154850598
1-phenyl-4-prop-1-en-2-yl-1,4-diazepane
CID 123837973

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-3-pyridinyl)-4-prop-1-en-2-ylpiperazine?
The IUPAC name of 1-(5-fluoro-3-pyridinyl)-4-prop-1-en-2-ylpiperazine (CID 137468280) is 1-(5-fluoro-3-pyridinyl)-4-prop-1-en-2-ylpiperazine.
What is the SMILES notation for 1-(5-fluoro-3-pyridinyl)-4-prop-1-en-2-ylpiperazine?
The canonical SMILES for 1-(5-fluoro-3-pyridinyl)-4-prop-1-en-2-ylpiperazine is C=C(C)N1CCN(c2cncc(F)c2)CC1.
What is the InChIKey of 1-(5-fluoro-3-pyridinyl)-4-prop-1-en-2-ylpiperazine?
The InChIKey is KGVNVTZNCOEEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3/c1-10(2)15-3-5-16(6-4-15)12-7-11(13)8-14-9-12/h7-9H,1,3-6H2,2H3.
What are the key properties of 1-(5-fluoro-3-pyridinyl)-4-prop-1-en-2-ylpiperazine?
1-(5-fluoro-3-pyridinyl)-4-prop-1-en-2-ylpiperazine has a molecular weight of 221.28 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-3-pyridinyl)-4-prop-1-en-2-ylpiperazine is sourced from PubChem (CID 137468280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).