N-[(5-methylpyrazin-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine

C13H19F3N4 — CID 62846076

IUPACN-[(5-methylpyrazin-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCc1cnc(CNC2CCN(CC(F)(F)F)CC2)cn1
InChIInChI=1S/C13H19F3N4/c1-10-6-18-12(7-17-10)8-19-11-2-4-20(5-3-11)9-13(14,15)16/h6-7,11,19H,2-5,8-9H2,1H3
InChIKeyNFLDFUIOTGYQMF-UHFFFAOYSA-N
MW288.32 g/mol
LogP1.90
Rot. Bonds4

About N-[(5-methylpyrazin-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine

N-[(5-methylpyrazin-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 62846076) has the molecular formula C13H19F3N4 and a molecular weight of 288.32 g/mol. Its IUPAC name is N-[(5-methylpyrazin-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(5-methylpyrazin-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID62846076
Molecular FormulaC13H19F3N4
Molecular Weight288.32 g/mol
Exact Mass288.16
IUPAC NameN-[(5-methylpyrazin-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCc1cnc(CNC2CCN(CC(F)(F)F)CC2)cn1
InChIInChI=1S/C13H19F3N4/c1-10-6-18-12(7-17-10)8-19-11-2-4-20(5-3-11)9-13(14,15)16/h6-7,11,19H,2-5,8-9H2,1H3
InChIKeyNFLDFUIOTGYQMF-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methylpyrazin-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-[(5-methylpyrazin-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 62846076) is N-[(5-methylpyrazin-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-[(5-methylpyrazin-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-[(5-methylpyrazin-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine is Cc1cnc(CNC2CCN(CC(F)(F)F)CC2)cn1.
What is the InChIKey of N-[(5-methylpyrazin-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is NFLDFUIOTGYQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4/c1-10-6-18-12(7-17-10)8-19-11-2-4-20(5-3-11)9-13(14,15)16/h6-7,11,19H,2-5,8-9H2,1H3.
What are the key properties of N-[(5-methylpyrazin-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-[(5-methylpyrazin-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 288.32 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylpyrazin-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 62846076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).