N-[[6-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-yl]methyl]ethanamine

C13H19F3N4 — CID 66449356

IUPACN-[[6-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-yl]methyl]ethanamine
SMILESCCNCc1cncc(N2CCCC(C(F)(F)F)C2)n1
InChIInChI=1S/C13H19F3N4/c1-2-17-6-11-7-18-8-12(19-11)20-5-3-4-10(9-20)13(14,15)16/h7-8,10,17H,2-6,9H2,1H3
InChIKeyDYMFVUXYSAOACA-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.36
Rot. Bonds4

About N-[[6-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-yl]methyl]ethanamine

N-[[6-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-yl]methyl]ethanamine (PubChem CID 66449356) has the molecular formula C13H19F3N4 and a molecular weight of 288.32 g/mol. Its IUPAC name is N-[[6-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-yl]methyl]ethanamine
PubChem CID66449356
Molecular FormulaC13H19F3N4
Molecular Weight288.32 g/mol
Exact Mass288.16
IUPAC NameN-[[6-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-yl]methyl]ethanamine
SMILESCCNCc1cncc(N2CCCC(C(F)(F)F)C2)n1
InChIInChI=1S/C13H19F3N4/c1-2-17-6-11-7-18-8-12(19-11)20-5-3-4-10(9-20)13(14,15)16/h7-8,10,17H,2-6,9H2,1H3
InChIKeyDYMFVUXYSAOACA-UHFFFAOYSA-N
XLogP2.36
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[6-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-yl]methyl]ethanamine?
The IUPAC name of N-[[6-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-yl]methyl]ethanamine (CID 66449356) is N-[[6-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[6-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[6-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-yl]methyl]ethanamine is CCNCc1cncc(N2CCCC(C(F)(F)F)C2)n1.
What is the InChIKey of N-[[6-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-yl]methyl]ethanamine?
The InChIKey is DYMFVUXYSAOACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4/c1-2-17-6-11-7-18-8-12(19-11)20-5-3-4-10(9-20)13(14,15)16/h7-8,10,17H,2-6,9H2,1H3.
What are the key properties of N-[[6-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-yl]methyl]ethanamine?
N-[[6-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-yl]methyl]ethanamine has a molecular weight of 288.32 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-yl]methyl]ethanamine is sourced from PubChem (CID 66449356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).