3-fluoro-6-[(6-methyl-1,2,3,4-tetrahydropyridin-3-yl)methyl]-1,2,3,4-tetrahydropyridine

C12H19FN2 — CID 174326321

IUPAC3-fluoro-6-[(6-methyl-1,2,3,4-tetrahydropyridin-3-yl)methyl]-1,2,3,4-tetrahydropyridine
SMILESCC1=CCC(CC2=CCC(F)CN2)CN1
InChIInChI=1S/C12H19FN2/c1-9-2-3-10(7-14-9)6-12-5-4-11(13)8-15-12/h2,5,10-11,14-15H,3-4,6-8H2,1H3
InChIKeyNBAXPFFZYAXRQC-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.11
Rot. Bonds2

About 3-fluoro-6-[(6-methyl-1,2,3,4-tetrahydropyridin-3-yl)methyl]-1,2,3,4-tetrahydropyridine

3-fluoro-6-[(6-methyl-1,2,3,4-tetrahydropyridin-3-yl)methyl]-1,2,3,4-tetrahydropyridine (PubChem CID 174326321) has the molecular formula C12H19FN2 and a molecular weight of 210.30 g/mol. Its IUPAC name is 3-fluoro-6-[(6-methyl-1,2,3,4-tetrahydropyridin-3-yl)methyl]-1,2,3,4-tetrahydropyridine.

Molecular Properties

Compound Name3-fluoro-6-[(6-methyl-1,2,3,4-tetrahydropyridin-3-yl)methyl]-1,2,3,4-tetrahydropyridine
PubChem CID174326321
Molecular FormulaC12H19FN2
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC Name3-fluoro-6-[(6-methyl-1,2,3,4-tetrahydropyridin-3-yl)methyl]-1,2,3,4-tetrahydropyridine
SMILESCC1=CCC(CC2=CCC(F)CN2)CN1
InChIInChI=1S/C12H19FN2/c1-9-2-3-10(7-14-9)6-12-5-4-11(13)8-15-12/h2,5,10-11,14-15H,3-4,6-8H2,1H3
InChIKeyNBAXPFFZYAXRQC-UHFFFAOYSA-N
XLogP2.11
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-6-[(6-methyl-1,2,3,4-tetrahydropyridin-3-yl)methyl]-1,2,3,4-tetrahydropyridine?
The IUPAC name of 3-fluoro-6-[(6-methyl-1,2,3,4-tetrahydropyridin-3-yl)methyl]-1,2,3,4-tetrahydropyridine (CID 174326321) is 3-fluoro-6-[(6-methyl-1,2,3,4-tetrahydropyridin-3-yl)methyl]-1,2,3,4-tetrahydropyridine.
What is the SMILES notation for 3-fluoro-6-[(6-methyl-1,2,3,4-tetrahydropyridin-3-yl)methyl]-1,2,3,4-tetrahydropyridine?
The canonical SMILES for 3-fluoro-6-[(6-methyl-1,2,3,4-tetrahydropyridin-3-yl)methyl]-1,2,3,4-tetrahydropyridine is CC1=CCC(CC2=CCC(F)CN2)CN1.
What is the InChIKey of 3-fluoro-6-[(6-methyl-1,2,3,4-tetrahydropyridin-3-yl)methyl]-1,2,3,4-tetrahydropyridine?
The InChIKey is NBAXPFFZYAXRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2/c1-9-2-3-10(7-14-9)6-12-5-4-11(13)8-15-12/h2,5,10-11,14-15H,3-4,6-8H2,1H3.
What are the key properties of 3-fluoro-6-[(6-methyl-1,2,3,4-tetrahydropyridin-3-yl)methyl]-1,2,3,4-tetrahydropyridine?
3-fluoro-6-[(6-methyl-1,2,3,4-tetrahydropyridin-3-yl)methyl]-1,2,3,4-tetrahydropyridine has a molecular weight of 210.30 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-6-[(6-methyl-1,2,3,4-tetrahydropyridin-3-yl)methyl]-1,2,3,4-tetrahydropyridine is sourced from PubChem (CID 174326321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).