1-[(5-fluoro-2-methyl-2,3-dihydropyridin-3-yl)methyl]piperazine

C11H18FN3 — CID 123392297

IUPAC1-[(5-fluoro-2-methyl-2,3-dihydropyridin-3-yl)methyl]piperazine
SMILESCC1N=CC(F)=CC1CN1CCNCC1
InChIInChI=1S/C11H18FN3/c1-9-10(6-11(12)7-14-9)8-15-4-2-13-3-5-15/h6-7,9-10,13H,2-5,8H2,1H3
InChIKeyPGXWZPRQYQRTJT-UHFFFAOYSA-N
MW211.28 g/mol
LogP0.83
Rot. Bonds2

About 1-[(5-fluoro-2-methyl-2,3-dihydropyridin-3-yl)methyl]piperazine

1-[(5-fluoro-2-methyl-2,3-dihydropyridin-3-yl)methyl]piperazine (PubChem CID 123392297) has the molecular formula C11H18FN3 and a molecular weight of 211.28 g/mol. Its IUPAC name is 1-[(5-fluoro-2-methyl-2,3-dihydropyridin-3-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(5-fluoro-2-methyl-2,3-dihydropyridin-3-yl)methyl]piperazine
PubChem CID123392297
Molecular FormulaC11H18FN3
Molecular Weight211.28 g/mol
Exact Mass211.15
IUPAC Name1-[(5-fluoro-2-methyl-2,3-dihydropyridin-3-yl)methyl]piperazine
SMILESCC1N=CC(F)=CC1CN1CCNCC1
InChIInChI=1S/C11H18FN3/c1-9-10(6-11(12)7-14-9)8-15-4-2-13-3-5-15/h6-7,9-10,13H,2-5,8H2,1H3
InChIKeyPGXWZPRQYQRTJT-UHFFFAOYSA-N
XLogP0.83
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[4-[(5-Fluoro-2-methyl-2,3-dihydropyridin-3-yl)methyl]piperazin-1-yl]cyclobutyl]ethanamine
CID 123565335
1-[1-(2,3-Dihydropyridin-2-yl)-2-methylpropyl]piperazine
CID 123742591
N'-[(3-methyl-2,3-dihydropyridin-2-yl)methyl]butane-1,4-diamine
CID 156421148

Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-2-methyl-2,3-dihydropyridin-3-yl)methyl]piperazine?
The IUPAC name of 1-[(5-fluoro-2-methyl-2,3-dihydropyridin-3-yl)methyl]piperazine (CID 123392297) is 1-[(5-fluoro-2-methyl-2,3-dihydropyridin-3-yl)methyl]piperazine.
What is the SMILES notation for 1-[(5-fluoro-2-methyl-2,3-dihydropyridin-3-yl)methyl]piperazine?
The canonical SMILES for 1-[(5-fluoro-2-methyl-2,3-dihydropyridin-3-yl)methyl]piperazine is CC1N=CC(F)=CC1CN1CCNCC1.
What is the InChIKey of 1-[(5-fluoro-2-methyl-2,3-dihydropyridin-3-yl)methyl]piperazine?
The InChIKey is PGXWZPRQYQRTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN3/c1-9-10(6-11(12)7-14-9)8-15-4-2-13-3-5-15/h6-7,9-10,13H,2-5,8H2,1H3.
What are the key properties of 1-[(5-fluoro-2-methyl-2,3-dihydropyridin-3-yl)methyl]piperazine?
1-[(5-fluoro-2-methyl-2,3-dihydropyridin-3-yl)methyl]piperazine has a molecular weight of 211.28 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoro-2-methyl-2,3-dihydropyridin-3-yl)methyl]piperazine is sourced from PubChem (CID 123392297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).