N-(2-piperazin-1-ylethyl)-5-(trifluoromethyl)pyridin-2-amine

C12H17F3N4 — CID 43600453

IUPACN-(2-piperazin-1-ylethyl)-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1ccc(NCCN2CCNCC2)nc1
InChIInChI=1S/C12H17F3N4/c13-12(14,15)10-1-2-11(18-9-10)17-5-8-19-6-3-16-4-7-19/h1-2,9,16H,3-8H2,(H,17,18)
InChIKeySGJAUMGDJBCCBP-UHFFFAOYSA-N
MW274.29 g/mol
LogP1.42
Rot. Bonds4

About N-(2-piperazin-1-ylethyl)-5-(trifluoromethyl)pyridin-2-amine

N-(2-piperazin-1-ylethyl)-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 43600453) has the molecular formula C12H17F3N4 and a molecular weight of 274.29 g/mol. Its IUPAC name is N-(2-piperazin-1-ylethyl)-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(2-piperazin-1-ylethyl)-5-(trifluoromethyl)pyridin-2-amine
PubChem CID43600453
Molecular FormulaC12H17F3N4
Molecular Weight274.29 g/mol
Exact Mass274.14
IUPAC NameN-(2-piperazin-1-ylethyl)-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1ccc(NCCN2CCNCC2)nc1
InChIInChI=1S/C12H17F3N4/c13-12(14,15)10-1-2-11(18-9-10)17-5-8-19-6-3-16-4-7-19/h1-2,9,16H,3-8H2,(H,17,18)
InChIKeySGJAUMGDJBCCBP-UHFFFAOYSA-N
XLogP1.42
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-piperazin-1-ylethyl)-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-(2-piperazin-1-ylethyl)-5-(trifluoromethyl)pyridin-2-amine (CID 43600453) is N-(2-piperazin-1-ylethyl)-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-(2-piperazin-1-ylethyl)-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-(2-piperazin-1-ylethyl)-5-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1ccc(NCCN2CCNCC2)nc1.
What is the InChIKey of N-(2-piperazin-1-ylethyl)-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is SGJAUMGDJBCCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4/c13-12(14,15)10-1-2-11(18-9-10)17-5-8-19-6-3-16-4-7-19/h1-2,9,16H,3-8H2,(H,17,18).
What are the key properties of N-(2-piperazin-1-ylethyl)-5-(trifluoromethyl)pyridin-2-amine?
N-(2-piperazin-1-ylethyl)-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 274.29 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperazin-1-ylethyl)-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 43600453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).