5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-2-carboximidamide

C12H16F3N5 — CID 115489641

IUPAC5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCN(CC(F)(F)F)CC2)cn1
InChIInChI=1S/C12H16F3N5/c13-12(14,15)8-19-3-5-20(6-4-19)9-1-2-10(11(16)17)18-7-9/h1-2,7H,3-6,8H2,(H3,16,17)
InChIKeyWHAGYQXCTBIKSP-UHFFFAOYSA-N
MW287.29 g/mol
LogP1.05
Rot. Bonds3

About 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-2-carboximidamide

5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-2-carboximidamide (PubChem CID 115489641) has the molecular formula C12H16F3N5 and a molecular weight of 287.29 g/mol. Its IUPAC name is 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-2-carboximidamide.

Molecular Properties

Compound Name5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-2-carboximidamide
PubChem CID115489641
Molecular FormulaC12H16F3N5
Molecular Weight287.29 g/mol
Exact Mass287.14
IUPAC Name5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCN(CC(F)(F)F)CC2)cn1
InChIInChI=1S/C12H16F3N5/c13-12(14,15)8-19-3-5-20(6-4-19)9-1-2-10(11(16)17)18-7-9/h1-2,7H,3-6,8H2,(H3,16,17)
InChIKeyWHAGYQXCTBIKSP-UHFFFAOYSA-N
XLogP1.05
TPSA69.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-morpholin-4-ylpyridine-2-carboximidamide
CID 115489462
5-(8-azaspiro[4.5]decan-8-yl)pyridine-2-carboximidamide
CID 115489654
5-(4-hydroxy-4-methylpiperidin-1-yl)pyridine-2-carboximidamide
CID 113321263
5-[4-(1-hydroxyethyl)piperidin-1-yl]pyridine-2-carboximidamide
CID 106836148
5-(3,3-diethylpyrrolidin-1-yl)pyridine-2-carboximidamide
CID 115489708
tert-butyl 2-[4-[4-(6-carbamimidoyl-3-pyridinyl)piperazin-1-yl]piperidin-1-yl]acetate;2,2,2-trifluoroacetic acid
CID 70060091
5-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-2-carboximidamide
CID 113321273
5-(2-ethylmorpholin-4-yl)pyridine-2-carboximidamide
CID 115489519
5-(2-ethylimidazol-1-yl)pyridine-2-carboximidamide
CID 115489732
1-(4-bromophenyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 67513524
5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)pyridine-2-carboximidamide
CID 115489529
2-fluoro-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]benzenecarbothioamide
CID 115368294

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-2-carboximidamide?
The IUPAC name of 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-2-carboximidamide (CID 115489641) is 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-2-carboximidamide.
What is the SMILES notation for 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-2-carboximidamide?
The canonical SMILES for 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-2-carboximidamide is [H]/N=C(\N)c1ccc(N2CCN(CC(F)(F)F)CC2)cn1.
What is the InChIKey of 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-2-carboximidamide?
The InChIKey is WHAGYQXCTBIKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N5/c13-12(14,15)8-19-3-5-20(6-4-19)9-1-2-10(11(16)17)18-7-9/h1-2,7H,3-6,8H2,(H3,16,17).
What are the key properties of 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-2-carboximidamide?
5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-2-carboximidamide has a molecular weight of 287.29 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-2-carboximidamide is sourced from PubChem (CID 115489641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).