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

C14H19F3N4 — CID 81037572

IUPAC2,6-dimethyl-4-[3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(N2CCCC(C(F)(F)F)C2)cc(C)nc1C
InChIInChI=1S/C14H19F3N4/c1-8-6-11(12(13(18)19)9(2)20-8)21-5-3-4-10(7-21)14(15,16)17/h6,10H,3-5,7H2,1-2H3,(H3,18,19)
InChIKeyNHWVMIQTYLWFFT-UHFFFAOYSA-N
MW300.33 g/mol
LogP2.76
Rot. Bonds2

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

2,6-dimethyl-4-[3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboximidamide (PubChem CID 81037572) has the molecular formula C14H19F3N4 and a molecular weight of 300.33 g/mol. Its IUPAC name is 2,6-dimethyl-4-[3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboximidamide.

Molecular Properties

Compound Name2,6-dimethyl-4-[3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboximidamide
PubChem CID81037572
Molecular FormulaC14H19F3N4
Molecular Weight300.33 g/mol
Exact Mass300.16
IUPAC Name2,6-dimethyl-4-[3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(N2CCCC(C(F)(F)F)C2)cc(C)nc1C
InChIInChI=1S/C14H19F3N4/c1-8-6-11(12(13(18)19)9(2)20-8)21-5-3-4-10(7-21)14(15,16)17/h6,10H,3-5,7H2,1-2H3,(H3,18,19)
InChIKeyNHWVMIQTYLWFFT-UHFFFAOYSA-N
XLogP2.76
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboximidamide?
The IUPAC name of 2,6-dimethyl-4-[3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboximidamide (CID 81037572) is 2,6-dimethyl-4-[3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboximidamide.
What is the SMILES notation for 2,6-dimethyl-4-[3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboximidamide?
The canonical SMILES for 2,6-dimethyl-4-[3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboximidamide is [H]/N=C(\N)c1c(N2CCCC(C(F)(F)F)C2)cc(C)nc1C.
What is the InChIKey of 2,6-dimethyl-4-[3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboximidamide?
The InChIKey is NHWVMIQTYLWFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N4/c1-8-6-11(12(13(18)19)9(2)20-8)21-5-3-4-10(7-21)14(15,16)17/h6,10H,3-5,7H2,1-2H3,(H3,18,19).
What are the key properties of 2,6-dimethyl-4-[3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboximidamide?
2,6-dimethyl-4-[3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboximidamide has a molecular weight of 300.33 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboximidamide is sourced from PubChem (CID 81037572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).