1-[5-methyl-6-(2,2,2-trifluoroethoxymethyl)pyrazin-2-yl]piperidin-4-amine

C13H19F3N4O — CID 170000818

IUPAC1-[5-methyl-6-(2,2,2-trifluoroethoxymethyl)pyrazin-2-yl]piperidin-4-amine
SMILESCc1ncc(N2CCC(N)CC2)nc1COCC(F)(F)F
InChIInChI=1S/C13H19F3N4O/c1-9-11(7-21-8-13(14,15)16)19-12(6-18-9)20-4-2-10(17)3-5-20/h6,10H,2-5,7-8,17H2,1H3
InChIKeyDUKIZVBDDINDBL-UHFFFAOYSA-N
MW304.32 g/mol
LogP1.79
Rot. Bonds4

About 1-[5-methyl-6-(2,2,2-trifluoroethoxymethyl)pyrazin-2-yl]piperidin-4-amine

1-[5-methyl-6-(2,2,2-trifluoroethoxymethyl)pyrazin-2-yl]piperidin-4-amine (PubChem CID 170000818) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is 1-[5-methyl-6-(2,2,2-trifluoroethoxymethyl)pyrazin-2-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[5-methyl-6-(2,2,2-trifluoroethoxymethyl)pyrazin-2-yl]piperidin-4-amine
PubChem CID170000818
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC Name1-[5-methyl-6-(2,2,2-trifluoroethoxymethyl)pyrazin-2-yl]piperidin-4-amine
SMILESCc1ncc(N2CCC(N)CC2)nc1COCC(F)(F)F
InChIInChI=1S/C13H19F3N4O/c1-9-11(7-21-8-13(14,15)16)19-12(6-18-9)20-4-2-10(17)3-5-20/h6,10H,2-5,7-8,17H2,1H3
InChIKeyDUKIZVBDDINDBL-UHFFFAOYSA-N
XLogP1.79
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-6-(2,2,2-trifluoroethoxymethyl)pyrazin-2-yl]piperidin-4-amine?
The IUPAC name of 1-[5-methyl-6-(2,2,2-trifluoroethoxymethyl)pyrazin-2-yl]piperidin-4-amine (CID 170000818) is 1-[5-methyl-6-(2,2,2-trifluoroethoxymethyl)pyrazin-2-yl]piperidin-4-amine.
What is the SMILES notation for 1-[5-methyl-6-(2,2,2-trifluoroethoxymethyl)pyrazin-2-yl]piperidin-4-amine?
The canonical SMILES for 1-[5-methyl-6-(2,2,2-trifluoroethoxymethyl)pyrazin-2-yl]piperidin-4-amine is Cc1ncc(N2CCC(N)CC2)nc1COCC(F)(F)F.
What is the InChIKey of 1-[5-methyl-6-(2,2,2-trifluoroethoxymethyl)pyrazin-2-yl]piperidin-4-amine?
The InChIKey is DUKIZVBDDINDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O/c1-9-11(7-21-8-13(14,15)16)19-12(6-18-9)20-4-2-10(17)3-5-20/h6,10H,2-5,7-8,17H2,1H3.
What are the key properties of 1-[5-methyl-6-(2,2,2-trifluoroethoxymethyl)pyrazin-2-yl]piperidin-4-amine?
1-[5-methyl-6-(2,2,2-trifluoroethoxymethyl)pyrazin-2-yl]piperidin-4-amine has a molecular weight of 304.32 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-6-(2,2,2-trifluoroethoxymethyl)pyrazin-2-yl]piperidin-4-amine is sourced from PubChem (CID 170000818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).