1-(5-fluoro-3,4-dihydropyridin-2-yl)-3-methylpiperazine

C10H16FN3 — CID 142349000

IUPAC1-(5-fluoro-3,4-dihydropyridin-2-yl)-3-methylpiperazine
SMILESCC1CN(C2=NC=C(F)CC2)CCN1
InChIInChI=1S/C10H16FN3/c1-8-7-14(5-4-12-8)10-3-2-9(11)6-13-10/h6,8,12H,2-5,7H2,1H3
InChIKeyFIOSIVGWYOYTFF-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.28
Rot. Bonds

About 1-(5-fluoro-3,4-dihydropyridin-2-yl)-3-methylpiperazine

1-(5-fluoro-3,4-dihydropyridin-2-yl)-3-methylpiperazine (PubChem CID 142349000) has the molecular formula C10H16FN3 and a molecular weight of 197.26 g/mol. Its IUPAC name is 1-(5-fluoro-3,4-dihydropyridin-2-yl)-3-methylpiperazine.

Molecular Properties

Compound Name1-(5-fluoro-3,4-dihydropyridin-2-yl)-3-methylpiperazine
PubChem CID142349000
Molecular FormulaC10H16FN3
Molecular Weight197.26 g/mol
Exact Mass197.13
IUPAC Name1-(5-fluoro-3,4-dihydropyridin-2-yl)-3-methylpiperazine
SMILESCC1CN(C2=NC=C(F)CC2)CCN1
InChIInChI=1S/C10H16FN3/c1-8-7-14(5-4-12-8)10-3-2-9(11)6-13-10/h6,8,12H,2-5,7H2,1H3
InChIKeyFIOSIVGWYOYTFF-UHFFFAOYSA-N
XLogP1.28
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(E)-2-fluorobut-1-enyl]-1-piperazin-1-ylethanimine
CID 142349174
1-(3,4-Dihydropyridin-2-yl)piperazine
CID 68152821
2-Piperazin-1-yl-3,4-dihydropyridin-3-amine
CID 141875324
ethane;N-[(E)-2-fluorobut-1-enyl]-1-piperazin-1-ylethanimine
CID 142349173
5-Piperazin-1-yl-3,4-dihydropyridin-2-amine
CID 149022675
1-(5-Methyl-3,4-dihydropyridin-2-yl)piperazine
CID 156059049

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-3,4-dihydropyridin-2-yl)-3-methylpiperazine?
The IUPAC name of 1-(5-fluoro-3,4-dihydropyridin-2-yl)-3-methylpiperazine (CID 142349000) is 1-(5-fluoro-3,4-dihydropyridin-2-yl)-3-methylpiperazine.
What is the SMILES notation for 1-(5-fluoro-3,4-dihydropyridin-2-yl)-3-methylpiperazine?
The canonical SMILES for 1-(5-fluoro-3,4-dihydropyridin-2-yl)-3-methylpiperazine is CC1CN(C2=NC=C(F)CC2)CCN1.
What is the InChIKey of 1-(5-fluoro-3,4-dihydropyridin-2-yl)-3-methylpiperazine?
The InChIKey is FIOSIVGWYOYTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3/c1-8-7-14(5-4-12-8)10-3-2-9(11)6-13-10/h6,8,12H,2-5,7H2,1H3.
What are the key properties of 1-(5-fluoro-3,4-dihydropyridin-2-yl)-3-methylpiperazine?
1-(5-fluoro-3,4-dihydropyridin-2-yl)-3-methylpiperazine has a molecular weight of 197.26 g/mol, XLogP of 1.28, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-3,4-dihydropyridin-2-yl)-3-methylpiperazine is sourced from PubChem (CID 142349000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).