6-(4-fluoro-1-methylpiperidin-4-yl)pyridine-3-carbonitrile

C12H14FN3 — CID 70914441

IUPAC6-(4-fluoro-1-methylpiperidin-4-yl)pyridine-3-carbonitrile
SMILESCN1CCC(F)(c2ccc(C#N)cn2)CC1
InChIInChI=1S/C12H14FN3/c1-16-6-4-12(13,5-7-16)11-3-2-10(8-14)9-15-11/h2-3,9H,4-7H2,1H3
InChIKeyBJIXNEPVRRITJO-UHFFFAOYSA-N
MW219.26 g/mol
LogP1.84
Rot. Bonds1

About 6-(4-fluoro-1-methylpiperidin-4-yl)pyridine-3-carbonitrile

6-(4-fluoro-1-methylpiperidin-4-yl)pyridine-3-carbonitrile (PubChem CID 70914441) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is 6-(4-fluoro-1-methylpiperidin-4-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-fluoro-1-methylpiperidin-4-yl)pyridine-3-carbonitrile
PubChem CID70914441
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC Name6-(4-fluoro-1-methylpiperidin-4-yl)pyridine-3-carbonitrile
SMILESCN1CCC(F)(c2ccc(C#N)cn2)CC1
InChIInChI=1S/C12H14FN3/c1-16-6-4-12(13,5-7-16)11-3-2-10(8-14)9-15-11/h2-3,9H,4-7H2,1H3
InChIKeyBJIXNEPVRRITJO-UHFFFAOYSA-N
XLogP1.84
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluoro-1-methylpiperidin-4-yl)pyridine-3-carbonitrile?
The IUPAC name of 6-(4-fluoro-1-methylpiperidin-4-yl)pyridine-3-carbonitrile (CID 70914441) is 6-(4-fluoro-1-methylpiperidin-4-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(4-fluoro-1-methylpiperidin-4-yl)pyridine-3-carbonitrile?
The canonical SMILES for 6-(4-fluoro-1-methylpiperidin-4-yl)pyridine-3-carbonitrile is CN1CCC(F)(c2ccc(C#N)cn2)CC1.
What is the InChIKey of 6-(4-fluoro-1-methylpiperidin-4-yl)pyridine-3-carbonitrile?
The InChIKey is BJIXNEPVRRITJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3/c1-16-6-4-12(13,5-7-16)11-3-2-10(8-14)9-15-11/h2-3,9H,4-7H2,1H3.
What are the key properties of 6-(4-fluoro-1-methylpiperidin-4-yl)pyridine-3-carbonitrile?
6-(4-fluoro-1-methylpiperidin-4-yl)pyridine-3-carbonitrile has a molecular weight of 219.26 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluoro-1-methylpiperidin-4-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 70914441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).