4-(5-fluoro-1,2-dihydropyridin-4-yl)-1,2-dimethylpiperazine

C11H18FN3 — CID 174194419

IUPAC4-(5-fluoro-1,2-dihydropyridin-4-yl)-1,2-dimethylpiperazine
SMILESCC1CN(C2=CCNC=C2F)CCN1C
InChIInChI=1S/C11H18FN3/c1-9-8-15(6-5-14(9)2)11-3-4-13-7-10(11)12/h3,7,9,13H,4-6,8H2,1-2H3
InChIKeyCYQYMWRXIYTALL-UHFFFAOYSA-N
MW211.28 g/mol
LogP0.92
Rot. Bonds1

About 4-(5-fluoro-1,2-dihydropyridin-4-yl)-1,2-dimethylpiperazine

4-(5-fluoro-1,2-dihydropyridin-4-yl)-1,2-dimethylpiperazine (PubChem CID 174194419) has the molecular formula C11H18FN3 and a molecular weight of 211.28 g/mol. Its IUPAC name is 4-(5-fluoro-1,2-dihydropyridin-4-yl)-1,2-dimethylpiperazine.

Molecular Properties

Compound Name4-(5-fluoro-1,2-dihydropyridin-4-yl)-1,2-dimethylpiperazine
PubChem CID174194419
Molecular FormulaC11H18FN3
Molecular Weight211.28 g/mol
Exact Mass211.15
IUPAC Name4-(5-fluoro-1,2-dihydropyridin-4-yl)-1,2-dimethylpiperazine
SMILESCC1CN(C2=CCNC=C2F)CCN1C
InChIInChI=1S/C11H18FN3/c1-9-8-15(6-5-14(9)2)11-3-4-13-7-10(11)12/h3,7,9,13H,4-6,8H2,1-2H3
InChIKeyCYQYMWRXIYTALL-UHFFFAOYSA-N
XLogP0.92
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-1,2-dihydropyridin-4-yl)-1,2-dimethylpiperazine?
The IUPAC name of 4-(5-fluoro-1,2-dihydropyridin-4-yl)-1,2-dimethylpiperazine (CID 174194419) is 4-(5-fluoro-1,2-dihydropyridin-4-yl)-1,2-dimethylpiperazine.
What is the SMILES notation for 4-(5-fluoro-1,2-dihydropyridin-4-yl)-1,2-dimethylpiperazine?
The canonical SMILES for 4-(5-fluoro-1,2-dihydropyridin-4-yl)-1,2-dimethylpiperazine is CC1CN(C2=CCNC=C2F)CCN1C.
What is the InChIKey of 4-(5-fluoro-1,2-dihydropyridin-4-yl)-1,2-dimethylpiperazine?
The InChIKey is CYQYMWRXIYTALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN3/c1-9-8-15(6-5-14(9)2)11-3-4-13-7-10(11)12/h3,7,9,13H,4-6,8H2,1-2H3.
What are the key properties of 4-(5-fluoro-1,2-dihydropyridin-4-yl)-1,2-dimethylpiperazine?
4-(5-fluoro-1,2-dihydropyridin-4-yl)-1,2-dimethylpiperazine has a molecular weight of 211.28 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-1,2-dihydropyridin-4-yl)-1,2-dimethylpiperazine is sourced from PubChem (CID 174194419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).