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

C10H16FN3 — CID 174193896

IUPAC1-(3-fluoro-1,2-dihydropyridin-4-yl)-4-methylpiperazine
SMILESCN1CCN(C2=C(F)CNC=C2)CC1
InChIInChI=1S/C10H16FN3/c1-13-4-6-14(7-5-13)10-2-3-12-8-9(10)11/h2-3,12H,4-8H2,1H3
InChIKeyAXTPCLORPNEPEQ-UHFFFAOYSA-N
MW197.26 g/mol
LogP0.53
Rot. Bonds1

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

1-(3-fluoro-1,2-dihydropyridin-4-yl)-4-methylpiperazine (PubChem CID 174193896) has the molecular formula C10H16FN3 and a molecular weight of 197.26 g/mol. Its IUPAC name is 1-(3-fluoro-1,2-dihydropyridin-4-yl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(3-fluoro-1,2-dihydropyridin-4-yl)-4-methylpiperazine
PubChem CID174193896
Molecular FormulaC10H16FN3
Molecular Weight197.26 g/mol
Exact Mass197.13
IUPAC Name1-(3-fluoro-1,2-dihydropyridin-4-yl)-4-methylpiperazine
SMILESCN1CCN(C2=C(F)CNC=C2)CC1
InChIInChI=1S/C10H16FN3/c1-13-4-6-14(7-5-13)10-2-3-12-8-9(10)11/h2-3,12H,4-8H2,1H3
InChIKeyAXTPCLORPNEPEQ-UHFFFAOYSA-N
XLogP0.53
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-1,2-dihydropyridin-4-yl)-4-methylpiperazine?
The IUPAC name of 1-(3-fluoro-1,2-dihydropyridin-4-yl)-4-methylpiperazine (CID 174193896) is 1-(3-fluoro-1,2-dihydropyridin-4-yl)-4-methylpiperazine.
What is the SMILES notation for 1-(3-fluoro-1,2-dihydropyridin-4-yl)-4-methylpiperazine?
The canonical SMILES for 1-(3-fluoro-1,2-dihydropyridin-4-yl)-4-methylpiperazine is CN1CCN(C2=C(F)CNC=C2)CC1.
What is the InChIKey of 1-(3-fluoro-1,2-dihydropyridin-4-yl)-4-methylpiperazine?
The InChIKey is AXTPCLORPNEPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3/c1-13-4-6-14(7-5-13)10-2-3-12-8-9(10)11/h2-3,12H,4-8H2,1H3.
What are the key properties of 1-(3-fluoro-1,2-dihydropyridin-4-yl)-4-methylpiperazine?
1-(3-fluoro-1,2-dihydropyridin-4-yl)-4-methylpiperazine has a molecular weight of 197.26 g/mol, XLogP of 0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-1,2-dihydropyridin-4-yl)-4-methylpiperazine is sourced from PubChem (CID 174193896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).