2,6-dimethyl-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carbonitrile

C14H16F3N3 — CID 81060120

IUPAC2,6-dimethyl-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carbonitrile
SMILESCc1cc(N2CCC(C(F)(F)F)CC2)c(C#N)c(C)n1
InChIInChI=1S/C14H16F3N3/c1-9-7-13(12(8-18)10(2)19-9)20-5-3-11(4-6-20)14(15,16)17/h7,11H,3-6H2,1-2H3
InChIKeyRDXVJDSLUKIRBI-UHFFFAOYSA-N
MW283.30 g/mol
LogP3.35
Rot. Bonds1

About 2,6-dimethyl-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carbonitrile

2,6-dimethyl-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carbonitrile (PubChem CID 81060120) has the molecular formula C14H16F3N3 and a molecular weight of 283.30 g/mol. Its IUPAC name is 2,6-dimethyl-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2,6-dimethyl-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carbonitrile
PubChem CID81060120
Molecular FormulaC14H16F3N3
Molecular Weight283.30 g/mol
Exact Mass283.13
IUPAC Name2,6-dimethyl-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carbonitrile
SMILESCc1cc(N2CCC(C(F)(F)F)CC2)c(C#N)c(C)n1
InChIInChI=1S/C14H16F3N3/c1-9-7-13(12(8-18)10(2)19-9)20-5-3-11(4-6-20)14(15,16)17/h7,11H,3-6H2,1-2H3
InChIKeyRDXVJDSLUKIRBI-UHFFFAOYSA-N
XLogP3.35
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 2,6-dimethyl-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carbonitrile (CID 81060120) is 2,6-dimethyl-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2,6-dimethyl-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2,6-dimethyl-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carbonitrile is Cc1cc(N2CCC(C(F)(F)F)CC2)c(C#N)c(C)n1.
What is the InChIKey of 2,6-dimethyl-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is RDXVJDSLUKIRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3/c1-9-7-13(12(8-18)10(2)19-9)20-5-3-11(4-6-20)14(15,16)17/h7,11H,3-6H2,1-2H3.
What are the key properties of 2,6-dimethyl-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carbonitrile?
2,6-dimethyl-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 283.30 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 81060120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).