[6-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-yl]methanamine

C11H15F3N4 — CID 66449158

IUPAC[6-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-yl]methanamine
SMILESNCc1cncc(N2CCCC(C(F)(F)F)C2)n1
InChIInChI=1S/C11H15F3N4/c12-11(13,14)8-2-1-3-18(7-8)10-6-16-5-9(4-15)17-10/h5-6,8H,1-4,7,15H2
InChIKeyCUYWEODCPSWWII-UHFFFAOYSA-N
MW260.26 g/mol
LogP1.71
Rot. Bonds2

About [6-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-yl]methanamine

[6-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-yl]methanamine (PubChem CID 66449158) has the molecular formula C11H15F3N4 and a molecular weight of 260.26 g/mol. Its IUPAC name is [6-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-yl]methanamine.

Molecular Properties

Compound Name[6-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-yl]methanamine
PubChem CID66449158
Molecular FormulaC11H15F3N4
Molecular Weight260.26 g/mol
Exact Mass260.12
IUPAC Name[6-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-yl]methanamine
SMILESNCc1cncc(N2CCCC(C(F)(F)F)C2)n1
InChIInChI=1S/C11H15F3N4/c12-11(13,14)8-2-1-3-18(7-8)10-6-16-5-9(4-15)17-10/h5-6,8H,1-4,7,15H2
InChIKeyCUYWEODCPSWWII-UHFFFAOYSA-N
XLogP1.71
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-yl]methanamine?
The IUPAC name of [6-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-yl]methanamine (CID 66449158) is [6-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-yl]methanamine.
What is the SMILES notation for [6-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-yl]methanamine?
The canonical SMILES for [6-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-yl]methanamine is NCc1cncc(N2CCCC(C(F)(F)F)C2)n1.
What is the InChIKey of [6-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-yl]methanamine?
The InChIKey is CUYWEODCPSWWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4/c12-11(13,14)8-2-1-3-18(7-8)10-6-16-5-9(4-15)17-10/h5-6,8H,1-4,7,15H2.
What are the key properties of [6-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-yl]methanamine?
[6-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-yl]methanamine has a molecular weight of 260.26 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-yl]methanamine is sourced from PubChem (CID 66449158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).