5-fluoro-4-[4-(oxetan-3-yl)piperazin-1-yl]pyridin-3-amine

C12H17FN4O — CID 86720932

IUPAC5-fluoro-4-[4-(oxetan-3-yl)piperazin-1-yl]pyridin-3-amine
SMILESNc1cncc(F)c1N1CCN(C2COC2)CC1
InChIInChI=1S/C12H17FN4O/c13-10-5-15-6-11(14)12(10)17-3-1-16(2-4-17)9-7-18-8-9/h5-6,9H,1-4,7-8,14H2
InChIKeyUNQGFZLLNBDYCI-UHFFFAOYSA-N
MW252.29 g/mol
LogP0.32
Rot. Bonds2

About 5-fluoro-4-[4-(oxetan-3-yl)piperazin-1-yl]pyridin-3-amine

5-fluoro-4-[4-(oxetan-3-yl)piperazin-1-yl]pyridin-3-amine (PubChem CID 86720932) has the molecular formula C12H17FN4O and a molecular weight of 252.29 g/mol. Its IUPAC name is 5-fluoro-4-[4-(oxetan-3-yl)piperazin-1-yl]pyridin-3-amine.

Molecular Properties

Compound Name5-fluoro-4-[4-(oxetan-3-yl)piperazin-1-yl]pyridin-3-amine
PubChem CID86720932
Molecular FormulaC12H17FN4O
Molecular Weight252.29 g/mol
Exact Mass252.14
IUPAC Name5-fluoro-4-[4-(oxetan-3-yl)piperazin-1-yl]pyridin-3-amine
SMILESNc1cncc(F)c1N1CCN(C2COC2)CC1
InChIInChI=1S/C12H17FN4O/c13-10-5-15-6-11(14)12(10)17-3-1-16(2-4-17)9-7-18-8-9/h5-6,9H,1-4,7-8,14H2
InChIKeyUNQGFZLLNBDYCI-UHFFFAOYSA-N
XLogP0.32
TPSA54.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-[4-(oxetan-3-yl)piperazin-1-yl]pyridin-3-amine?
The IUPAC name of 5-fluoro-4-[4-(oxetan-3-yl)piperazin-1-yl]pyridin-3-amine (CID 86720932) is 5-fluoro-4-[4-(oxetan-3-yl)piperazin-1-yl]pyridin-3-amine.
What is the SMILES notation for 5-fluoro-4-[4-(oxetan-3-yl)piperazin-1-yl]pyridin-3-amine?
The canonical SMILES for 5-fluoro-4-[4-(oxetan-3-yl)piperazin-1-yl]pyridin-3-amine is Nc1cncc(F)c1N1CCN(C2COC2)CC1.
What is the InChIKey of 5-fluoro-4-[4-(oxetan-3-yl)piperazin-1-yl]pyridin-3-amine?
The InChIKey is UNQGFZLLNBDYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN4O/c13-10-5-15-6-11(14)12(10)17-3-1-16(2-4-17)9-7-18-8-9/h5-6,9H,1-4,7-8,14H2.
What are the key properties of 5-fluoro-4-[4-(oxetan-3-yl)piperazin-1-yl]pyridin-3-amine?
5-fluoro-4-[4-(oxetan-3-yl)piperazin-1-yl]pyridin-3-amine has a molecular weight of 252.29 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-[4-(oxetan-3-yl)piperazin-1-yl]pyridin-3-amine is sourced from PubChem (CID 86720932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).