4-(piperidin-4-ylmethyl)-6-(trifluoromethyl)pyridine-2-carbonitrile

C13H14F3N3 — CID 174285930

IUPAC4-(piperidin-4-ylmethyl)-6-(trifluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1cc(CC2CCNCC2)cc(C(F)(F)F)n1
InChIInChI=1S/C13H14F3N3/c14-13(15,16)12-7-10(6-11(8-17)19-12)5-9-1-3-18-4-2-9/h6-7,9,18H,1-5H2
InChIKeyIFKBKYWYUKNGIV-UHFFFAOYSA-N
MW269.27 g/mol
LogP2.51
Rot. Bonds2

About 4-(piperidin-4-ylmethyl)-6-(trifluoromethyl)pyridine-2-carbonitrile

4-(piperidin-4-ylmethyl)-6-(trifluoromethyl)pyridine-2-carbonitrile (PubChem CID 174285930) has the molecular formula C13H14F3N3 and a molecular weight of 269.27 g/mol. Its IUPAC name is 4-(piperidin-4-ylmethyl)-6-(trifluoromethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(piperidin-4-ylmethyl)-6-(trifluoromethyl)pyridine-2-carbonitrile
PubChem CID174285930
Molecular FormulaC13H14F3N3
Molecular Weight269.27 g/mol
Exact Mass269.11
IUPAC Name4-(piperidin-4-ylmethyl)-6-(trifluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1cc(CC2CCNCC2)cc(C(F)(F)F)n1
InChIInChI=1S/C13H14F3N3/c14-13(15,16)12-7-10(6-11(8-17)19-12)5-9-1-3-18-4-2-9/h6-7,9,18H,1-5H2
InChIKeyIFKBKYWYUKNGIV-UHFFFAOYSA-N
XLogP2.51
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(piperidin-4-ylmethyl)-6-(trifluoromethyl)pyridine-2-carbonitrile?
The IUPAC name of 4-(piperidin-4-ylmethyl)-6-(trifluoromethyl)pyridine-2-carbonitrile (CID 174285930) is 4-(piperidin-4-ylmethyl)-6-(trifluoromethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(piperidin-4-ylmethyl)-6-(trifluoromethyl)pyridine-2-carbonitrile?
The canonical SMILES for 4-(piperidin-4-ylmethyl)-6-(trifluoromethyl)pyridine-2-carbonitrile is N#Cc1cc(CC2CCNCC2)cc(C(F)(F)F)n1.
What is the InChIKey of 4-(piperidin-4-ylmethyl)-6-(trifluoromethyl)pyridine-2-carbonitrile?
The InChIKey is IFKBKYWYUKNGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3/c14-13(15,16)12-7-10(6-11(8-17)19-12)5-9-1-3-18-4-2-9/h6-7,9,18H,1-5H2.
What are the key properties of 4-(piperidin-4-ylmethyl)-6-(trifluoromethyl)pyridine-2-carbonitrile?
4-(piperidin-4-ylmethyl)-6-(trifluoromethyl)pyridine-2-carbonitrile has a molecular weight of 269.27 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperidin-4-ylmethyl)-6-(trifluoromethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 174285930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).